name retention_index quantmass id RRS.7 RRS.10 Knox.10 Knox.18 Rmx.A02 Rmx.A180 Pna.17 Pna.10 Eden.1 Eden.2 Lov.1 Lov.5 Fab.2 Fab.4 Bil.5 Bil.7 Var2.1 Var2.6 Spr1.2 Spr1.6 Omo2.1 Omo2.3 Ull2.5 Ull2.3 Zdr.1 Zdr.6 Bor.1 Bor.4 Pu2.7 Pu2.23 Lp2.2 Lp2.6 HR.5 HR.10 NFA.8 NFA.10 Sq.1 Sq.8 CIBC.5 CIBC.17 Tamm.2 Tamm.27 Kz.1 Kz.9 Got.7 Got.22 Ren.1 Ren.11 Uod.1 Uod.7 Cvi.0 Lz.0 Ei.2 Gu.0 Ler.1 Nd.1 C24 CS22491 Wei.0 Ws.0 Yo.0 Col.0 An.1 Van.0 Br.0 Est.1 Ag.0 Gy.0 Ra.0 Bay.0 Ga.0 Mrk.0 Mz.0 Wt.5 Kas.2 Ct.1 Mr.0 Tsu.1 Mt.0 Nok.3 Wa.1 Fei.0 Se.0 Ts.1 Ts.5 Pro.0 Ll.0 Kondara Shahdara Sorbo Kin.0 Ms.0 Bur.0 Edi.0 Oy.0 Ws.2 dehydroascorbate 1 633331 173 200336 14.2298919462523 11.4798919462523 13.2298919462523 12.2298919462523 12.9798919462523 13.2492639844526 12.9159306511193 12.8398224235421 12.7298919462523 13.2492639844526 14.1738457194874 8.47989194625232 12.2298919462523 12.4798919462523 12.5825973177859 12.2492639844526 11.9798919462523 14.2492639844526 11.2492639844526 13.9159306511193 12.9159306511193 12.7298919462523 11.9798919462523 12.4798919462523 13.7298919462523 13.7298919462523 12.4798919462523 12.7298919462523 12.7298919462523 12.2298919462523 13.4798919462523 11.9159306511193 13.4798919462523 13.7298919462523 12.7298919462523 12.9798919462523 11.2298919462523 13.7298919462523 11.9798919462523 13.4798919462523 13.7298919462523 12.7298919462523 11.2298919462523 11.7732227664641 12.7732227664641 11.7239252772172 11.4597838925046 13.9798919462523 12.7859381730172 11.7298919462523 12.1065560997974 11.7298919462523 11.7732227664641 12.2298919462523 13.2298919462523 14.1065560997974 12.7298919462523 13.7298919462523 5.40010051438296 13.1065560997974 11.9798919462523 13.1065560997974 13.4398894331307 12.2298919462523 13.7732227664641 12.4398894331307 13.7732227664641 13.9798919462523 13.4798919462523 13.7732227664641 13.1065560997974 12.4398894331307 12.2298919462523 12.9798919462523 14.1065560997974 12.7239252772172 12.9798919462523 13.7298919462523 12.7298919462523 10.7859381730172 13.4398894331307 12.7732227664641 12.7732227664641 12.7859381730172 11.9798919462523 10.2298919462523 11.0572586105505 12.7298919462523 13.7732227664641 13.4398894331307 12.7298919462523 13.400100514383 10.0739462338704 13.7477919533578 12.0572586105505 11 xylose 1 540197 103 200507 7.53447382381613 4.78447382381613 6.28447382381613 8.78447382381613 9.03447382381613 6.62844280014423 5.96177613347756 5.88153819109882 5.78447382381613 5.96177613347756 12.6960238392323 5.28447382381613 7.03447382381613 9.28447382381613 6.96177613347756 8.62844280014423 2.03447382381613 10.2951094668109 0.29510946681089 10.6284428001442 8.62844280014423 7.53447382381613 6.28447382381613 5.28447382381613 9.78447382381613 9.53447382381613 7.03447382381613 5.03447382381613 7.53447382381613 9.53447382381613 9.53447382381613 7.96177613347756 9.03447382381613 7.78447382381613 5.03447382381613 8.53447382381613 4.78447382381613 10.5344738238161 7.03447382381613 10.0344738238161 8.53447382381613 9.53447382381613 7.53447382381613 3.54372533907752 9.54372533907753 8.41752229827727 8.06894764763226 9.78447382381613 5.37292380839994 4.53447382381613 6.21039200574419 6.28447382381613 8.21039200574419 7.53447382381613 6.53447382381613 10.5437253390775 6.78447382381613 14.2844738238161 0.493280721968048 9.87705867241086 5.03447382381613 8.87705867241086 9.87705867241086 8.53447382381613 10.8770586724109 5.87705867241086 7.54372533907752 10.7844738238161 9.28447382381613 7.21039200574419 7.54372533907752 9.21039200574419 4.78447382381613 6.28447382381613 10.5437253390775 7.41752229827727 10.0344738238161 10.0344738238161 9.28447382381613 5.87292380839994 9.54372533907753 9.54372533907753 11.5437253390775 9.37292380839994 7.03447382381613 6.03447382381613 7.75085563161061 8.78447382381613 10.2103920057442 9.87705867241086 7.78447382381613 10.4932807219681 4.68930456120037 10.8853284004327 6.08418896494394 7.5 fructose 1 638631 307 199188 9.18063021501547 6.93063021501547 8.18063021501547 7.93063021501547 8.43063021501547 8.67715704536551 7.01049037869884 7.73254427464164 7.43063021501547 8.67715704536551 10.2532915499798 6.43063021501547 8.43063021501547 9.18063021501547 8.67715704536551 8.34382371203218 7.68063021501547 9.6771570453655 6.34382371203218 8.67715704536551 7.34382371203218 8.18063021501547 6.43063021501547 5.18063021501547 9.43063021501547 8.18063021501547 8.93063021501547 7.93063021501547 8.43063021501547 7.93063021501547 8.68063021501547 6.34382371203218 7.68063021501547 8.18063021501547 7.18063021501547 7.43063021501547 4.68063021501547 8.43063021501547 7.43063021501547 8.68063021501547 10.4306302150155 10.6806302150155 7.68063021501547 9.08246963206628 7.08246963206628 7.8970165746551 6.86126043003094 9.18063021501547 7.10796888005116 6.68063021501547 7.74913629873295 6.93063021501547 6.74913629873295 6.93063021501547 8.93063021501547 8.41580296539962 7.68063021501547 9.68063021501547 0.524888036136966 8.74913629873295 4.93063021501547 7.74913629873295 9.08246963206628 8.43063021501547 8.08246963206628 7.08246963206628 8.08246963206628 9.68063021501547 9.43063021501547 9.08246963206629 8.08246963206628 7.41580296539962 7.68063021501547 7.93063021501547 9.74913629873295 7.8970165746551 8.93063021501547 8.93063021501547 8.18063021501547 5.60796888005116 9.08246963206628 10.4158029653996 9.08246963206628 8.10796888005116 6.93063021501547 5.43063021501547 4.56368324132178 10.1806302150155 10.0824696320663 9.41580296539962 9.68063021501547 11.524888036137 4.77817958611675 9.03147113609653 8.23034990798845 6 alanine 243537 116 199651 3.01955509364051 6.01955509364051 10.5195550936405 12.2695550936405 11.7695550936405 9.9549827578341 10.9549827578341 10.5775542576101 8.2695550936405 8.62164942450075 13.7596953358853 7.26955509364051 11.7695550936405 9.5195550936405 8.28831609116742 12.2883160911674 2.51955509364051 10.9549827578341 9.62164942450075 8.28831609116742 12.2883160911674 7.51955509364051 8.0195550936405 8.0195550936405 11.0195550936405 9.0195550936405 5.76955509364051 6.51955509364051 10.0195550936405 11.2695550936405 10.0195550936405 8.28831609116742 7.51955509364051 11.5195550936405 5.26955509364051 9.0195550936405 3.5195550936405 11.7695550936405 6.51955509364051 9.0195550936405 12.0195550936405 11.2695550936405 5.26955509364051 9.14125932543122 4.47459265876456 7.73775736701993 5.03911018728101 10.5195550936405 4.27941485139571 6.26955509364051 6.47459265876456 5.26955509364051 8.47459265876456 11.5195550936405 11.7695550936405 11.8079259920979 7.76955509364051 8.0195550936405 0.345557601731652 7.14125932543122 6.26955509364051 11.4745926587646 11.1412593254312 7.01955509364051 9.8079259920979 6.47459265876456 10.8079259920979 10.7695550936405 10.5195550936405 11.8079259920979 6.14125932543122 10.4745926587646 8.2695550936405 8.5195550936405 10.8079259920979 9.73775736701993 11.0195550936405 10.2695550936405 10.0195550936405 7.27941485139571 5.80792599209789 10.4745926587646 6.47459265876456 4.27941485139571 3.76955509364051 8.2695550936405 3.07109070035326 6.76955509364051 9.47459265876456 11.8079259920979 11.0195550936405 10.3455576017317 3.60525293761695 7.86494827350225 3.07109070035326 4.50000000000001 galactinol major 2 1018547 204 211957 7.81166122995397 5.31166122995397 9.31166122995397 7.31166122995397 9.31166122995397 9.7039948187915 9.7039948187915 9.5582402440823 9.06166122995397 9.7039948187915 8.27003013440274 7.06166122995397 8.81166122995397 8.56166122995397 10.3706614854582 10.0373281521248 6.56166122995397 11.0373281521248 3.7039948187915 11.0373281521248 9.37066148545816 8.06166122995397 8.31166122995397 7.31166122995397 9.81166122995397 9.81166122995397 9.56166122995397 10.061661229954 9.81166122995397 8.81166122995397 9.31166122995397 8.37066148545816 8.06166122995397 10.811661229954 9.56166122995397 9.56166122995397 3.81166122995398 10.311661229954 7.06166122995397 9.56166122995397 7.81166122995397 9.81166122995397 6.56166122995398 9.2728563691283 6.60618970246163 8.04488682114713 8.12332245990795 11.311661229954 9.3532923255052 7.06166122995398 9.2728563691283 8.56166122995397 8.93952303579497 9.06166122995397 10.311661229954 10.2728563691283 9.56166122995397 10.061661229954 0.571924187569003 9.93952303579497 9.56166122995397 9.60618970246163 7.60618970246163 9.56166122995397 9.93952303579496 8.93952303579497 9.93952303579497 11.311661229954 10.561661229954 10.2728563691283 10.2728563691283 9.93952303579497 9.31166122995397 9.81166122995397 7.2728563691283 9.37822015448047 10.311661229954 10.811661229954 10.811661229954 5.8532923255052 10.2728563691283 6.60618970246164 9.60618970246163 5.3532923255052 7.31166122995398 5.81166122995398 6.37822015448047 7.81166122995397 9.60618970246163 9.60618970246163 7.06166122995398 8.571924187569 4.84195432197174 11.1119844563745 9.04488682114713 7.5 glucose 2 658866 205 199199 10.1964118115456 7.19641181154565 9.44641181154565 4.19641181154565 7.19641181154565 7.6995462372799 5.6995462372799 5.69359297575184 8.19641181154565 5.36621290394657 10.6968851964563 7.19641181154565 9.44641181154565 7.94641181154565 10.6995462372799 8.6995462372799 9.44641181154565 11.0328795706132 6.03287957061323 5.6995462372799 9.36621290394657 7.44641181154565 3.94641181154565 6.44641181154565 8.69641181154565 7.44641181154565 10.4464118115456 6.69641181154565 2.69641181154565 6.94641181154565 9.69641181154565 5.36621290394657 8.19641181154565 10.1964118115456 7.44641181154565 2.44641181154565 7.44641181154565 7.69641181154565 10.1964118115456 10.4464118115456 11.1964118115456 11.1964118115456 8.69641181154565 6.83017185503655 6.83017185503655 9.5623361781143 9.8928236230913 8.69641181154565 0.695938426634985 6.44641181154565 6.16350518836989 4.69641181154565 6.16350518836989 5.94641181154565 9.69641181154565 3.49683852170322 5.19641181154565 7.44641181154565 -0.295131681072918 10.4968385217032 5.94641181154565 5.83017185503655 7.49683852170322 8.19641181154565 9.49683852170322 6.16350518836989 8.16350518836989 11.6964118115456 8.94641181154565 10.1635051883699 5.83017185503655 9.83017185503655 7.44641181154565 9.19641181154565 6.83017185503655 9.89566951144763 7.69641181154565 8.44641181154565 9.94641181154564 2.69593842663498 9.49683852170322 7.49683852170322 5.83017185503656 4.19593842663499 8.19641181154565 6.19641181154565 5.22900284478096 5.69641181154565 7.49683852170322 6.16350518836989 11.4464118115456 -0.295131681072924 4.90175351538339 12.0986387118397 10.5623361781143 8.5 serine 394650 204 213294 8.9995788163344 10.7495788163344 6.99957881633441 6.99957881633441 0.749578816334405 9.1790153894287 7.17901538942869 6.23509595939376 9.9995788163344 11.8456820560954 7.62200939056487 8.24957881633441 4.49957881633441 11.4995788163344 9.84568205609536 12.512348722762 3.99957881633441 13.512348722762 5.51234872276203 11.1790153894287 4.51234872276203 9.9995788163344 4.74957881633441 5.99957881633441 13.9995788163344 10.4995788163344 8.74957881633441 9.24957881633441 9.7495788163344 7.74957881633441 9.24957881633441 3.51234872276202 8.49957881633441 7.99957881633441 6.49957881633441 2.99957881633441 5.74957881633441 9.24957881633441 6.49957881633441 12.4995788163344 8.49957881633441 5.74957881633441 5.7495788163344 6.76378088416465 6.09711421749799 11.8204230323505 5.49915763266882 9.7495788163344 7.87714824210394 4.49957881633441 1.09711421749799 7.99957881633441 6.43044755083132 11.7495788163344 8.99957881633441 4.43044755083132 8.74957881633441 10.7495788163344 8.29302738715633 5.43044755083132 7.74957881633441 11.097114217498 8.097114217498 9.9995788163344 8.43044755083132 5.43044755083132 11.4304475508313 11.4995788163344 10.2495788163344 10.097114217498 11.097114217498 11.4304475508313 11.4995788163344 9.24957881633441 10.7637808841647 11.8204230323505 10.7495788163344 9.4995788163344 10.4995788163344 11.3771482421039 12.4304475508313 9.76378088416466 9.43044755083132 6.87714824210395 9.24957881633441 4.74957881633441 5.82042303235052 5.99957881633441 14.097114217498 9.76378088416466 10.2495788163344 13.2930273871563 11.4150367777212 10.5370461682861 5.48708969901718 4 palmitic acid 711066 313 227993 10.2343760132921 8.4843760132921 9.2343760132921 9.4843760132921 9.4843760132921 10.1925752069273 9.19257520692731 9.49923417563081 7.2343760132921 9.52590854026064 10.068962047253 8.4843760132921 9.7343760132921 9.4843760132921 9.52590854026065 9.19257520692731 8.4843760132921 10.1925752069273 9.19257520692731 10.5259085402606 8.85924187359398 9.2343760132921 8.7343760132921 9.4843760132921 9.9843760132921 9.9843760132921 8.4843760132921 9.7343760132921 9.2343760132921 8.7343760132921 10.2343760132921 8.85924187359398 9.7343760132921 10.4843760132921 9.2343760132921 8.9843760132921 7.4843760132921 10.2343760132921 8.7343760132921 9.4843760132921 9.9843760132921 9.2343760132921 8.4843760132921 8.45910185981478 9.7924351931481 9.45325947746216 7.96875202658418 10.9843760132921 8.89978997933121 8.2343760132921 9.12576852648144 8.7343760132921 8.45910185981478 8.9843760132921 9.7343760132921 9.7924351931481 9.2343760132921 10.2343760132921 10.439801526276 9.12576852648144 9.4843760132921 9.45910185981478 9.7924351931481 9.4843760132921 9.7924351931481 9.12576852648144 10.1257685264814 10.9843760132921 10.4843760132921 9.7924351931481 10.1257685264814 9.12576852648145 9.4843760132921 9.4843760132921 10.1257685264814 10.1199261441288 9.9843760132921 10.9843760132921 9.9843760132921 7.89978997933121 10.4591018598148 10.7924351931481 10.4591018598148 9.8997899793312 9.4843760132921 8.7343760132921 7.7865928107955 9.9843760132921 10.7924351931481 10.1257685264814 9.9843760132921 10.439801526276 8.50876357352894 11.5777256207819 9.45325947746216 8.50000000000001 inositol myo- 725902 305 228005 13.8174405397322 10.8174405397321 12.8174405397322 13.5674405397321 12.8174405397321 13.0457643840578 12.3790977173911 12.3164664798 11.8174405397321 12.7124310507245 13.9084652163223 8.56744053973215 12.3174405397321 12.0674405397321 12.7124310507245 13.0457643840578 11.3174405397321 14.0457643840578 10.3790977173911 12.7124310507245 11.7124310507245 12.5674405397321 11.0674405397321 11.8174405397322 13.8174405397321 13.8174405397321 12.5674405397322 12.8174405397321 12.8174405397321 12.3174405397321 13.5674405397321 11.7124310507245 13.0674405397321 13.5674405397321 12.0674405397321 12.3174405397321 10.8174405397322 13.3174405397321 11.8174405397321 12.8174405397321 13.0674405397322 12.3174405397321 11.0674405397322 11.8633749594858 11.8633749594858 11.7108230022517 11.1348810794643 13.5674405397321 12.726415863142 11.0674405397322 11.8633749594858 11.3174405397321 12.1967082928191 11.5674405397322 13.0674405397321 13.1967082928191 12.0674405397322 13.3174405397321 0.320362719528713 12.5300416261524 11.5674405397322 12.5300416261524 13.5300416261524 12.5674405397321 12.5300416261524 11.8633749594858 12.8633749594858 14.0674405397321 13.8174405397321 13.1967082928191 13.5300416261524 12.1967082928191 12.5674405397321 12.8174405397321 12.8633749594858 13.0441563355851 12.8174405397321 13.5674405397321 12.8174405397321 10.726415863142 13.5300416261524 13.1967082928191 12.5300416261524 12.226415863142 12.0674405397322 9.81744053973215 10.3774896689184 12.8174405397321 13.1967082928191 12.8633749594858 13.0674405397321 13.3203627195287 10.228827935851 13.1372931521734 12.7108230022517 11 glutamic acid 527101 246 227977 13.3759551905602 11.1259551905602 11.6259551905602 9.62595519056022 12.8759551905602 12.9712264347692 12.6378931014359 7.75998796747852 12.3759551905602 12.9712264347692 13.8449112222511 6.37595519056022 12.1259551905602 12.3759551905602 12.3045597681025 12.3045597681025 11.8759551905602 13.9712264347692 11.3045597681025 13.6378931014359 11.9712264347692 10.6259551905602 10.8759551905602 11.8759551905602 11.3759551905602 12.1259551905602 10.1259551905602 12.1259551905602 12.1259551905602 11.3759551905602 11.8759551905602 11.3045597681025 11.1259551905602 11.3759551905602 11.1259551905602 9.62595519056022 9.87595519056022 11.3759551905602 11.3759551905602 11.6259551905602 9.62595519056022 8.62595519056022 9.87595519056022 9.57589254068207 11.2425592073487 9.53004715264443 8.75191038112044 11.3759551905602 11.9069991588693 9.87595519056022 11.5758925406821 10.1259551905602 10.9092258740154 10.3759551905602 9.37595519056022 12.2425592073487 10.8759551905602 12.1259551905602 0.223856859805334 12.2425592073487 10.3759551905602 11.5758925406821 11.5758925406821 11.6259551905602 12.2425592073487 8.24255920734874 11.9092258740154 13.6259551905602 12.8759551905602 11.5758925406821 12.2425592073487 11.5758925406821 11.6259551905602 11.1259551905602 12.2425592073487 11.8633804859778 9.12595519056022 11.8759551905602 12.3759551905602 10.9069991588693 11.5758925406821 10.2425592073487 10.9092258740154 10.9069991588693 10.8759551905602 8.12595519056022 9.53004715264444 10.6259551905602 11.2425592073487 11.2425592073487 8.37595519056022 9.22385685980533 6.06876808205646 10.9136793043076 11.1967138193111 10 threonine 405642 117 227959 13.1309607879674 11.1309607879674 11.1309607879674 11.1309607879674 11.8809607879674 13.3558228719495 12.0224895386162 10.8543699355482 12.8809607879674 12.0224895386162 14.0533676353119 7.63096078796737 12.8809607879674 12.3809607879674 13.0224895386162 12.3558228719495 11.1309607879674 13.0224895386162 10.6891562052828 13.6891562052828 12.3558228719495 11.1309607879674 12.1309607879674 11.3809607879674 13.1309607879674 12.3809607879674 8.13096078796737 11.8809607879674 13.1309607879674 11.3809607879674 12.1309607879674 12.0224895386162 11.8809607879674 11.6309607879674 11.8809607879674 11.6309607879674 11.8809607879674 11.1309607879674 11.6309607879674 13.1309607879674 12.6309607879674 10.8809607879674 8.38096078796737 10.1615254990314 12.1615254990314 12.1521248453403 11.7619215759347 9.63096078796737 11.2085539406228 10.6309607879674 7.49485883236473 12.1309607879674 12.1615254990314 12.6309607879674 12.3809607879674 11.4948588323647 10.1309607879674 9.88096078796737 4.96073334522473 12.4948588323647 11.3809607879674 11.8281921656981 13.1615254990314 12.1309607879674 10.4948588323647 12.1615254990314 12.1615254990314 13.8809607879674 12.3809607879674 12.8281921656981 12.1615254990314 11.8281921656981 12.6309607879674 12.1309607879674 13.1615254990314 12.4854581786737 10.1309607879674 12.1309607879674 12.3809607879674 9.70855394062284 11.8281921656981 12.8281921656981 12.1615254990314 11.2085539406228 11.6309607879674 10.3809607879674 9.81879151200699 10.8809607879674 13.4948588323647 12.4948588323647 8.63096078796737 12.9607333452247 10.0141009805366 8.06746861584851 12.818791512007 11 aspartic acid 480543 232 199612 13.1633314077945 10.4133314077945 8.41333140779453 8.91333140779452 11.4133314077945 12.5188804284422 11.1855470951088 7.9455355796043 11.9133314077945 11.1855470951088 13.8699611964806 5.41333140779453 11.9133314077945 12.1633314077945 12.1855470951088 11.5188804284422 11.9133314077945 13.5188804284422 10.5188804284422 12.8522137617755 11.8522137617755 8.41333140779452 10.9133314077945 11.1633314077945 11.6633314077945 12.1633314077945 7.91333140779453 11.1633314077945 12.1633314077945 11.6633314077945 11.6633314077945 11.5188804284422 11.1633314077945 11.6633314077945 11.4133314077945 10.1633314077945 10.4133314077945 11.4133314077945 11.1633314077945 11.4133314077945 12.9133314077945 9.41333140779453 10.9133314077945 9.82334817451445 11.4900148411811 11.3655614486172 10.8266628155891 10.9133314077945 11.4567016191084 7.91333140779453 11.8233481745145 11.4133314077945 10.8233481745145 11.1633314077945 10.9133314077945 10.8233481745145 10.9133314077945 12.1633314077945 5.81671889236523 12.1566815078478 11.4133314077945 11.1566815078478 11.8233481745145 11.9133314077945 12.1566815078478 8.15668150784778 12.1566815078478 13.6633314077945 12.9133314077945 11.1566815078478 12.1566815078478 11.8233481745144 11.4133314077945 11.1633314077945 12.4900148411811 11.6988947819505 8.91333140779453 12.9133314077945 11.9133314077945 10.4567016191084 12.1566815078478 12.1566815078478 12.4900148411811 11.9567016191084 11.9133314077945 10.6633314077945 10.3655614486172 11.4133314077945 12.1566815078478 11.8233481745145 8.66333140779453 12.8167188923652 10.1866800888459 10.5566412853265 12.0322281152839 10.5 urea 328046 171 199594 10.8380324270236 10.0880324270236 9.58803242702358 8.83803242702358 9.33803242702358 10.2615919217359 9.59492525506926 8.34502822877608 9.33803242702358 9.9282585884026 10.7338653717209 8.58803242702358 8.08803242702358 9.58803242702358 9.59492525506926 9.59492525506926 8.83803242702358 11.2615919217359 9.9282585884026 10.5949252550693 9.26159192173593 9.08803242702358 9.83803242702358 9.83803242702358 10.8380324270236 10.3380324270236 5.33803242702359 11.0880324270236 10.3380324270236 10.0880324270236 11.0880324270236 9.59492525506926 10.0880324270236 10.5880324270236 10.5880324270236 9.83803242702358 7.08803242702358 11.0880324270236 9.58803242702358 10.0880324270236 10.8380324270236 8.33803242702358 9.58803242702358 9.2230582432868 9.88972490995346 9.85578464762884 9.17606485404716 11.0880324270236 8.9421994823263 7.08803242702358 9.55639157662013 9.33803242702358 9.2230582432868 9.83803242702358 10.5880324270236 11.2230582432868 6.58803242702358 9.08803242702358 10.3170450217661 9.88972490995346 7.58803242702358 10.2230582432868 10.5563915766201 10.0880324270236 9.2230582432868 9.2230582432868 9.55639157662013 10.8380324270236 10.8380324270236 9.88972490995346 9.88972490995346 9.55639157662013 9.58803242702358 10.5880324270236 12.2230582432868 9.85578464762884 7.58803242702358 7.58803242702358 10.3380324270236 6.9421994823263 9.2230582432868 9.55639157662013 10.2230582432868 9.4421994823263 9.83803242702358 8.33803242702358 7.85578464762884 9.58803242702358 9.88972490995346 9.55639157662013 8.83803242702358 8.31704502176606 8.05091039348692 9.7847757652078 10.1891179809622 9 lauric acid 547810 117 201826 11.0703817513418 9.57038175134183 10.5703817513418 9.82038175134183 10.3203817513418 3.85467202016758 9.85467202016758 10.1966647725681 9.57038175134183 9.85467202016758 10.9362416864199 6.82038175134182 9.82038175134183 9.32038175134183 9.18800535350092 5.85467202016759 9.32038175134183 9.85467202016758 9.52133868683425 10.5213386868342 8.85467202016758 9.57038175134183 9.32038175134183 7.57038175134183 10.3203817513418 10.3203817513418 7.32038175134183 9.57038175134183 9.32038175134183 9.57038175134183 10.3203817513418 6.18800535350092 10.3203817513418 10.8203817513418 9.82038175134183 7.32038175134183 4.82038175134183 7.82038175134183 6.07038175134183 7.32038175134183 9.57038175134183 9.07038175134183 9.07038175134183 5.3243532310101 6.65768656434343 6.5725036482882 4.14076350268364 10.8203817513418 8.70452181626378 8.32038175134183 8.99101989767677 9.57038175134183 5.99101989767677 8.82038175134183 10.0703817513418 6.99101989767677 9.82038175134183 10.5703817513418 9.69153268766302 6.3243532310101 9.82038175134183 9.65768656434343 6.65768656434343 9.32038175134183 10.3243532310101 6.65768656434343 10.3243532310101 11.5703817513418 10.8203817513418 9.65768656434343 9.99101989767677 9.99101989767677 9.82038175134183 8.07038175134183 10.6576865643434 9.23917031495486 10.8203817513418 11.3203817513418 10.3203817513418 7.20452181626378 10.6576865643434 10.9910198976768 10.6576865643434 10.7045218162638 8.07038175134183 9.07038175134183 7.90583698162152 10.5703817513418 10.9910198976768 10.6576865643434 10.3203817513418 10.691532687663 9.62777437408287 11.5640160605027 10.2391703149549 9 succinic acid 370518 247 199210 8.16471627611975 5.41471627611975 7.66471627611975 8.16471627611975 8.41471627611975 8.37162710194464 8.0382937686113 6.80251256263853 8.16471627611975 8.70496043527797 9.43177694463525 6.91471627611975 6.41471627611975 7.66471627611975 8.37162710194464 7.37162710194464 7.66471627611975 10.704960435278 4.37162710194464 8.70496043527797 7.37162710194464 6.16471627611975 6.41471627611975 7.66471627611975 8.41471627611975 8.66471627611975 7.41471627611975 6.16471627611975 6.41471627611975 5.66471627611975 8.66471627611975 7.0382937686113 6.16471627611975 8.16471627611975 7.66471627611975 6.66471627611975 4.41471627611975 8.16471627611975 6.16471627611975 6.16471627611975 8.91471627611975 8.41471627611975 4.91471627611976 6.63673084034748 3.63673084034748 7.51466126621504 6.3294325522395 7.66471627611975 7.39765560760426 4.91471627611975 5.97006417368081 7.66471627611975 4.63673084034747 7.41471627611975 7.41471627611975 8.30339750701414 6.41471627611975 6.91471627611975 0.251327416563417 8.63673084034748 5.66471627611975 7.63673084034748 7.97006417368081 5.91471627611975 6.30339750701414 5.30339750701414 7.97006417368081 6.66471627611975 8.41471627611975 7.97006417368081 7.97006417368081 7.63673084034748 7.41471627611975 5.41471627611975 9.63673084034748 8.1813279328817 7.41471627611975 8.41471627611975 7.41471627611975 5.89765560760426 8.63673084034748 8.97006417368081 8.63673084034748 8.39765560760426 8.16471627611975 5.91471627611975 7.51466126621504 7.66471627611975 8.97006417368081 7.63673084034748 7.91471627611975 9.25132741656343 4.18310436119866 8.1148813058339 8.51466126621504 7 phosphoric acid 344674 299 199165 11.8305481874818 11.0805481874818 11.3305481874818 11.8305481874818 12.0805481874818 11.4895929553506 11.1562596220173 10.3947436179323 10.5805481874818 11.1562596220173 12.6654084849608 10.0805481874818 10.5805481874818 10.5805481874818 11.1562596220173 10.4895929553506 9.8305481874818 11.822926288684 10.822926288684 11.822926288684 10.1562596220173 10.5805481874818 9.33054818748181 9.8305481874818 11.3305481874818 11.8305481874818 9.33054818748181 10.3305481874818 10.5805481874818 10.0805481874818 11.3305481874818 10.822926288684 11.0805481874818 11.8305481874818 11.0805481874818 10.5805481874818 9.8305481874818 11.5805481874818 10.8305481874818 11.5805481874818 12.3305481874818 12.3305481874818 10.5805481874818 9.15338488201918 10.4867182153525 11.6178046279584 10.6610963749636 11.8305481874818 10.9956878900028 9.8305481874818 12.8200515486858 10.3305481874818 10.4867182153525 5.83054818748181 10.0805481874818 12.1533848820192 11.0805481874818 12.3305481874818 10.1379618961303 10.4867182153525 10.3305481874818 10.4867182153525 6.48671821535251 10.8305481874818 11.8200515486858 9.82005154868585 10.8200515486858 12.3305481874818 11.8305481874818 9.4867182153525 10.8200515486858 11.1533848820192 10.8305481874818 10.5805481874818 13.1533848820192 10.9511379612918 11.0805481874818 11.5805481874818 11.3305481874818 8.99568789000283 11.4867182153525 10.4867182153525 12.8200515486858 12.4956878900028 10.5805481874818 11.0805481874818 10.9511379612918 10.8305481874818 7.82005154868585 11.8200515486858 11.3305481874818 11.1379618961303 10.3033703810911 11.4687788660519 11.2844712946251 10 fumaric acid 390708 245 218753 16.5945537888714 10.5945537888714 13.8445537888714 15.0945537888714 14.8445537888714 16.6514211468456 14.6514211468456 13.925103614738 15.3445537888714 15.9847544801789 16.1756795646326 12.3445537888714 15.8445537888714 15.8445537888714 9.98475448017892 15.6514211468456 15.5945537888714 17.3180878135123 11.9847544801789 15.9847544801789 14.9847544801789 15.3445537888714 13.5945537888714 14.0945537888714 15.3445537888714 16.5945537888714 14.8445537888714 10.8445537888714 11.8445537888714 15.0945537888714 15.8445537888714 14.9847544801789 10.8445537888714 12.0945537888714 11.0945537888714 7.09455378887138 10.3445537888714 14.8445537888714 10.5945537888714 14.8445537888714 16.3445537888714 16.8445537888714 10.8445537888714 13.993706488919 5.6603731555857 16.1413172383162 7.18910757774274 14.8445537888714 8.51342801311014 7.59455378887137 11.3270398222524 15.3445537888714 9.6603731555857 14.8445537888714 15.5945537888714 15.3270398222524 10.8445537888714 12.5945537888714 9.6029043112716 15.6603731555857 6.84455378887138 15.3270398222524 14.993706488919 11.5945537888714 11.3270398222524 9.99370648891903 13.993706488919 16.0945537888714 15.5945537888714 14.6603731555857 15.6603731555857 13.6603731555857 14.0945537888714 15.0945537888714 16.993706488919 16.4746505716496 14.0945537888714 12.0945537888714 14.8445537888714 15.0134280131101 17.3270398222524 16.6603731555857 16.3270398222524 15.0134280131101 16.0945537888714 9.84455378887137 9.14131723831623 15.5945537888714 15.993706488919 15.993706488919 15.0945537888714 17.6029043112716 14.2785838759042 15.9542634405368 15.1413172383162 14 citric acid 617288 273 199168 9.00199373962342 9.7519937396234 11.0019937396234 11.0019937396234 12.0019937396234 11.9416822173488 10.6083488840154 10.3592054937662 11.0019937396234 7.27501555068208 11.4473440874256 6.75199373962341 7.25199373962341 10.2519937396234 10.6083488840154 9.60834888401541 9.75199373962341 8.27501555068208 5.94168221734875 11.9416822173487 10.2750155506821 10.0019937396234 9.00199373962341 10.2519937396234 8.25199373962341 11.2519937396234 8.25199373962341 11.0019937396234 10.5019937396234 10.0019937396234 10.5019937396234 10.6083488840154 10.7519937396234 8.25199373962341 10.5019937396234 8.75199373962341 9.00199373962341 10.2519937396234 11.0019937396234 10.7519937396234 11.7519937396234 11.2519937396234 9.75199373962341 8.31277781189623 10.9794444785629 10.7276427688158 9.00398747924683 10.5019937396234 10.5566433918212 8.75199373962341 6.64611114522956 9.75199373962341 9.64611114522957 9.25199373962341 10.2519937396234 10.3127778118962 11.0019937396234 8.00199373962341 -0.0696415228049663 11.3127778118962 10.0019937396234 10.9794444785629 10.6461111452296 11.0019937396234 11.3127778118962 6.64611114522956 10.3127778118962 12.5019937396234 11.7519937396234 9.9794444785629 10.9794444785629 9.64611114522956 10.5019937396234 10.5019937396234 10.9794444785629 11.3943094354825 10.2519937396234 11.7519937396234 11.0019937396234 9.05664339182122 11.6461111452296 12.3127778118962 11.3127778118962 5.55664339182122 11.2519937396234 9.00199373962341 10.3943094354825 10.7519937396234 11.6461111452296 10.6461111452296 11.0019937396234 10.930358477195 9.37770256462065 10.8250466520463 11.7276427688158 10 linolenic acid 779785 108 199206 9.41568432048985 6.41568432048985 7.91568432048985 8.91568432048985 8.91568432048985 9.28516932689353 6.61850266022686 9.08456784055364 6.41568432048985 6.28516932689353 9.72323711019104 6.91568432048985 8.66568432048985 7.91568432048985 6.28516932689353 8.61850266022686 7.16568432048985 9.28516932689353 5.95183599356019 9.9518359935602 8.28516932689353 7.91568432048985 7.91568432048985 8.66568432048985 9.66568432048985 9.41568432048985 6.41568432048985 6.66568432048985 8.41568432048985 8.16568432048985 9.41568432048985 5.95183599356019 8.66568432048985 9.41568432048985 6.66568432048985 7.66568432048985 5.16568432048985 6.91568432048985 4.41568432048986 7.16568432048985 6.66568432048985 4.16568432048985 3.91568432048986 8.02392368075264 9.02392368075264 8.2690764337596 6.83136864097972 9.91568432048985 8.10813153078866 7.16568432048985 7.69059034741931 6.16568432048985 5.35725701408598 6.66568432048985 6.66568432048985 8.69059034741931 4.41568432048986 9.41568432048985 8.4090337602985 9.02392368075264 8.41568432048985 9.02392368075264 9.02392368075265 6.91568432048985 9.35725701408598 8.69059034741931 9.35725701408598 9.91568432048985 9.91568432048985 9.02392368075264 9.6905903474193 6.02392368075264 6.66568432048985 8.91568432048985 9.6905903474193 8.93574310042627 8.66568432048985 10.1656843204899 6.91568432048985 5.10813153078866 9.6905903474193 9.6905903474193 9.02392368075264 8.60813153078866 8.41568432048985 6.16568432048985 4.2690764337596 9.41568432048985 10.0239236807526 9.35725701408598 6.91568432048985 10.4090337602985 5.13227087048955 10.8555079806806 5.93574310042627 7.49999999999999 levoglucosan 569799 204 199201 8.77890259589318 3.52890259589319 9.0289025958932 7.77890259589319 8.02890259589319 10.1458361760532 9.81250284271988 8.80864674167185 8.27890259589319 9.47916950938654 10.3739191848012 5.02890259589319 9.02890259589319 6.27890259589319 9.81250284271988 10.1458361760532 5.77890259589319 9.81250284271988 5.14583617605321 10.1458361760532 8.81250284271988 6.77890259589319 7.52890259589319 6.77890259589319 7.27890259589319 8.77890259589319 6.02890259589319 8.77890259589319 7.27890259589319 8.27890259589319 9.27890259589319 7.81250284271988 9.27890259589319 9.77890259589319 9.27890259589319 9.77890259589319 6.27890259589319 9.52890259589319 4.02890259589319 9.02890259589319 8.77890259589319 7.52890259589319 4.52890259589319 5.26842684737666 7.60176018071 4.89270061847104 5.55780519178638 7.52890259589319 4.68388600698517 6.02890259589319 9.60176018071 7.52890259589319 7.93509351404333 5.52890259589319 9.27890259589319 9.26842684737666 9.02890259589319 8.77890259589319 7.68967015855721 8.60176018071 4.52890259589319 6.93509351404333 3.60176018070999 8.27890259589319 9.93509351404333 6.60176018071 6.26842684737666 7.52890259589319 4.52890259589319 6.26842684737666 10.2684268473767 6.93509351404333 6.52890259589319 6.02890259589319 6.60176018071 8.89270061847104 7.77890259589319 4.77890259589319 6.27890259589319 4.68388600698517 4.93509351404333 5.93509351404333 8.60176018071 8.68388600698517 8.27890259589319 1.27890259589319 5.22603395180437 4.7789025958932 9.93509351404333 9.93509351404333 8.77890259589319 8.68967015855722 0.0635893433584229 -0.562491471840366 7.5593672851377 7 isoleucine 358756 158 199785 8.35936839951884 5.60936839951884 6.10936839951884 7.35936839951884 8.10936839951884 8.78765544481378 8.45432211148045 5.5228187107316 8.35936839951884 5.78765544481378 10.2469744342804 3.85936839951884 6.85936839951884 7.85936839951884 8.78765544481378 8.45432211148045 7.10936839951884 9.12098877814712 7.45432211148045 9.45432211148045 5.78765544481378 4.35936839951884 6.10936839951884 6.35936839951884 8.85936839951884 8.60936839951884 5.35936839951884 8.85936839951884 8.35936839951884 7.60936839951884 8.35936839951884 5.78765544481379 8.35936839951884 6.35936839951884 8.10936839951884 7.35936839951884 7.35936839951884 4.35936839951884 7.85936839951884 8.60936839951884 8.85936839951884 6.10936839951884 5.35936839951884 5.1021636879853 5.43549702131863 5.358169087878 7.21873679903768 6.60936839951884 7.97176236475728 5.60936839951884 8.1021636879853 7.85936839951884 8.1021636879853 8.35936839951884 8.60936839951884 8.43549702131864 4.10936839951884 9.10936839951884 -0.130982534119448 8.43549702131863 4.85936839951884 8.1021636879853 8.76883035465197 6.35936839951884 5.76883035465197 8.76883035465197 5.76883035465197 9.35936839951884 8.35936839951884 9.1021636879853 7.76883035465197 8.1021636879853 6.60936839951884 8.10936839951884 6.76883035465197 8.358169087878 6.35936839951884 4.60936839951884 8.85936839951884 5.97176236475727 7.76883035465197 6.1021636879853 5.76883035465197 8.97176236475727 6.35936839951884 7.35936839951884 5.02483575454466 4.10936839951884 8.76883035465197 9.1021636879853 6.10936839951884 8.86901746588055 7.11599190016095 0.362966334441353 7.69150242121133 4 glycine 364262 174 227957 10.364128344008 8.86412834400799 7.114128344008 7.364128344008 7.11412834400799 10.5257927529175 9.52579275291754 8.79704216000738 9.36412834400799 10.8591260862509 11.7559956813714 6.61412834400799 8.36412834400799 9.864128344008 10.1924594195842 9.85912608625087 4.36412834400799 10.8591260862509 9.1924594195842 10.1924594195842 9.52579275291753 7.61412834400799 8.86412834400799 7.11412834400799 11.114128344008 9.614128344008 6.61412834400799 9.86412834400799 10.114128344008 9.11412834400799 7.36412834400799 9.52579275291754 9.61412834400799 9.86412834400799 9.61412834400799 6.61412834400799 6.11412834400799 7.36412834400799 6.36412834400799 9.61412834400799 10.114128344008 9.614128344008 6.61412834400799 4.84063342401392 7.17396675734725 6.29304503909312 3.72825668801597 10.114128344008 4.97226100664458 4.61412834400799 7.17396675734725 4.61412834400799 6.50730009068058 9.36412834400799 9.36412834400799 10.1739667573473 6.61412834400799 8.11412834400799 9.0653868960098 3.50730009068058 4.36412834400799 6.84063342401392 9.84063342401392 9.36412834400799 5.84063342401391 3.17396675734725 9.84063342401392 10.614128344008 9.86412834400799 9.84063342401392 10.1739667573473 9.84063342401392 4.86412834400799 9.11412834400799 7.50730009068058 9.95971170575979 9.11412834400799 7.11412834400799 7.61412834400799 5.47226100664458 3.84063342401392 3.17396675734726 3.17396675734725 5.47226100664458 6.36412834400799 4.11412834400799 5.29304503909312 9.61412834400799 10.5073000906806 7.17396675734725 6.36412834400799 12.0653868960098 3.82138257738119 8.5773782587526 9.62637837242645 5.00000000000001 shikimic acid 610984 204 199162 8.90921564197052 4.65921564197052 8.65921564197052 6.90921564197051 8.65921564197052 9.09015310129473 7.7568197679614 8.36997610962492 7.65921564197051 8.09015310129473 9.37176253243845 4.15921564197051 4.40921564197052 7.65921564197051 8.09015310129473 6.09015310129473 7.40921564197051 9.42348643462806 2.7568197679614 8.7568197679614 7.42348643462806 6.40921564197051 3.90921564197052 6.65921564197052 9.15921564197051 8.90921564197051 6.15921564197052 6.65921564197051 4.65921564197052 7.65921564197051 8.65921564197051 5.42348643462806 4.65921564197051 7.65921564197051 8.15921564197051 7.90921564197051 2.40921564197052 8.65921564197051 5.90921564197052 6.65921564197051 6.90921564197052 6.40921564197051 2.40921564197051 3.05459893562978 3.72126560229645 4.78880108799929 7.31843128394103 9.40921564197052 4.94666875150258 3.90921564197051 5.05459893562978 5.90921564197051 5.38793226896312 7.65921564197051 6.65921564197051 9.05459893562979 6.90921564197052 8.90921564197051 0.526934239007296 9.05459893562978 4.40921564197052 7.05459893562978 8.72126560229645 8.40921564197051 8.72126560229645 8.05459893562978 8.72126560229645 9.40921564197052 9.40921564197051 8.72126560229645 9.05459893562979 7.72126560229645 6.15921564197052 6.40921564197051 8.38793226896312 8.12213442133262 8.15921564197051 9.40921564197051 6.40921564197051 5.44666875150258 9.05459893562978 9.38793226896312 8.72126560229645 9.44666875150258 6.65921564197051 5.65921564197052 5.12213442133262 6.40921564197052 9.05459893562978 9.05459893562978 6.90921564197051 9.5269342390073 4.39869677144574 9.27045930388419 8.12213442133262 6.5 N-acetyl-D-mannosamine 733793 205 205676 9.17386745515944 4.42386745515944 8.42386745515944 6.67386745515944 8.17386745515944 9.07356759930236 8.74023426596903 7.67637966846219 7.92386745515944 8.74023426596903 9.77718599132795 4.42386745515944 6.67386745515944 8.17386745515944 8.4069009326357 8.4069009326357 7.67386745515944 9.74023426596903 4.74023426596903 9.4069009326357 7.4069009326357 6.67386745515944 5.67386745515944 6.17386745515944 8.92386745515944 8.42386745515944 6.67386745515944 6.42386745515944 7.67386745515944 7.92386745515944 8.92386745515944 5.4069009326357 8.17386745515944 9.17386745515944 7.42386745515944 7.42386745515944 5.42386745515944 8.67386745515944 6.42386745515944 7.92386745515944 8.67386745515944 8.17386745515944 6.67386745515944 7.12060021196298 7.78726687862965 7.49158900757689 6.84773491031887 9.67386745515944 5.07054891899092 4.17386745515944 8.12060021196298 7.17386745515944 7.45393354529631 7.42386745515944 8.42386745515944 6.45393354529631 6.42386745515944 9.17386745515944 0.666330815251194 8.78726687862965 7.17386745515944 8.78726687862964 5.78726687862965 7.42386745515944 8.78726687862965 7.78726687862965 8.78726687862965 10.1738674551594 8.92386745515944 9.12060021196298 9.12060021196298 7.78726687862965 7.92386745515944 8.17386745515944 9.45393354529631 8.15825567424355 6.67386745515944 8.92386745515944 8.17386745515944 5.57054891899092 8.45393354529631 9.12060021196298 8.78726687862965 8.57054891899092 6.17386745515944 3.92386745515944 4.82492234091022 8.42386745515944 8.78726687862965 8.78726687862965 6.92386745515944 9.6663308152512 4.44351680657914 9.2207027979071 7.82492234091022 6 phenylalanine 538016 218 217642 8.98210394388215 5.73210394388214 5.73210394388214 4.48210394388214 7.98210394388214 8.98089889614785 4.64756556281452 4.89751858763266 7.98210394388214 8.31423222948119 9.3534183379065 1.98210394388215 6.48210394388214 8.23210394388214 7.98089889614786 5.98089889614786 5.73210394388214 9.31423222948119 6.98089889614786 8.98089889614785 7.64756556281452 4.23210394388215 5.48210394388214 6.48210394388214 6.73210394388214 8.48210394388214 2.98210394388215 8.23210394388214 6.23210394388214 7.48210394388214 8.48210394388214 5.31423222948119 5.98210394388214 6.98210394388214 7.48210394388214 7.48210394388214 3.48210394388215 7.98210394388214 5.73210394388214 8.23210394388214 8.73210394388214 5.73210394388214 5.48210394388215 4.72142526271972 7.72142526271972 5.32857302902834 6.46420788776429 8.48210394388214 7.6107895498578 5.48210394388215 8.05475859605305 5.48210394388215 7.38809192938639 5.98210394388214 7.48210394388214 8.38809192938639 4.23210394388214 6.98210394388214 0.235860012630588 8.38809192938638 4.73210394388214 8.05475859605305 8.38809192938639 7.73210394388214 8.38809192938638 5.38809192938639 8.05475859605305 9.48210394388214 8.48210394388214 9.05475859605306 8.38809192938639 5.72142526271972 5.98210394388214 3.73210394388215 8.72142526271972 5.995239695695 5.98210394388214 6.73210394388214 7.98210394388214 4.6107895498578 5.72142526271972 5.72142526271972 5.72142526271972 8.1107895498578 4.48210394388214 4.98210394388215 2.66190636236167 6.48210394388214 8.72142526271972 8.38809192938639 5.73210394388214 9.23586001263059 4.08927835053707 -0.0573033115564394 1.995239695695 3.5 stearic acid 787358 117 199195 10.1829522953352 8.93295229533516 9.68295229533517 6.93295229533518 9.43295229533518 10.5070743813421 7.50707438134206 9.08729440978218 9.18295229533517 7.17374104800873 10.525648596016 6.68295229533517 7.68295229533517 8.93295229533517 9.8404077146754 9.50707438134206 6.68295229533518 6.8404077146754 10.1737410480087 10.8404077146754 9.17374104800873 7.18295229533517 8.43295229533518 8.93295229533517 9.93295229533517 6.93295229533517 8.68295229533517 9.18295229533517 8.68295229533517 6.93295229533518 9.68295229533517 8.8404077146754 9.68295229533517 9.93295229533518 9.18295229533517 8.68295229533517 3.93295229533518 7.43295229533518 8.68295229533517 8.93295229533517 9.93295229533518 8.93295229533517 8.43295229533517 8.06724504444495 9.40057837777828 5.73686201243817 7.36590459067035 10.6829522953352 8.84025599465433 8.43295229533517 9.06724504444495 6.68295229533517 8.7339117111116 8.43295229533517 8.18295229533518 10.0672450444449 4.68295229533518 7.93295229533518 1.46992595199415 6.40057837777828 4.68295229533518 10.0672450444449 6.73391171111161 4.18295229533518 6.40057837777828 6.73391171111161 6.73391171111161 8.18295229533518 8.18295229533518 7.06724504444494 6.73391171111161 6.40057837777828 7.18295229533517 4.93295229533518 4.06724504444495 3.0701953457715 4.93295229533518 5.93295229533518 4.43295229533518 5.34025599465433 4.06724504444495 3.73391171111162 3.73391171111161 5.34025599465432 6.43295229533518 7.18295229533517 7.40352867910484 4.18295229533518 7.06724504444494 7.06724504444495 7.43295229533518 1.46992595199414 4.99557454801016 0.521223144026184 5.73686201243817 4.50000000000001 glutamine 600452 156 199776 11.4400376842475 4.94003768424754 8.94003768424754 7.44003768424754 9.94003768424754 9.9823039421075 8.9823039421075 5.24507647903352 9.44003768424754 10.3156372754408 11.4609952632165 4.19003768424754 7.69003768424754 10.1900376842475 10.3156372754408 9.9823039421075 9.19003768424754 10.9823039421075 5.98230394210751 10.6489706087742 9.31563727544084 4.69003768424754 8.44003768424754 6.94003768424754 7.94003768424754 9.44003768424754 6.19003768424754 8.69003768424754 9.94003768424754 6.94003768424754 5.94003768424754 8.31563727544084 6.44003768424754 7.19003768424754 8.44003768424754 2.44003768424754 2.69003768424754 7.69003768424754 4.94003768424754 8.44003768424754 11.6900376842475 7.19003768424754 6.19003768424754 5.26169067895992 6.59502401229325 5.2710796368892 3.88007536849508 6.94003768424754 5.41908010527861 6.44003768424754 8.92835734562659 5.69003768424754 5.59502401229326 5.94003768424754 5.69003768424754 9.59502401229326 6.94003768424754 9.69003768424754 1.0249212998896 9.59502401229325 4.94003768424754 8.92835734562659 7.26169067895992 8.19003768424754 7.26169067895992 6.59502401229326 10.2616906789599 11.1900376842475 10.6900376842475 8.59502401229326 6.92835734562659 8.59502401229326 7.19003768424754 5.94003768424754 9.26169067895992 9.27107963688921 6.19003768424754 6.69003768424754 9.44003768424754 5.91908010527861 10.2616906789599 3.26169067895993 8.92835734562659 8.91908010527861 5.44003768424754 6.19003768424754 5.93774630355587 6.69003768424754 8.92835734562659 8.26169067895992 5.69003768424754 8.0249212998896 4.48591656310606 -0.0530881736774651 8.60441297022254 3.99999999999999 valine 309905 144 227947 8.10658035418037 7.60658035418037 10.8565803541804 7.60658035418037 11.1065803541804 11.5193337090789 7.85266704241223 6.73619052968876 8.10658035418037 10.5193337090789 11.6701256497907 8.35658035418037 11.1065803541804 10.3565803541804 10.8526670424122 10.5193337090789 5.10658035418037 11.5193337090789 6.5193337090789 11.1860003757456 10.1860003757456 9.85658035418037 7.85658035418037 8.35658035418037 11.1065803541804 10.8565803541804 7.35658035418037 8.35658035418037 8.85658035418037 10.1065803541804 8.35658035418037 6.5193337090789 8.35658035418037 8.10658035418037 7.85658035418037 5.35658035418037 4.85658035418037 10.3565803541804 5.60658035418037 8.10658035418037 8.85658035418037 5.10658035418037 2.35658035418037 10.2146904147922 4.54802374812555 6.62277342982826 10.7131607083607 10.3565803541804 6.04303505856999 3.10658035418037 7.8813570814589 5.10658035418037 7.54802374812555 10.6065803541804 10.8565803541804 10.8813570814589 7.10658035418037 8.10658035418037 1.2177498276552 11.2146904147922 5.85658035418037 7.8813570814589 11.5480237481256 7.85658035418037 10.8813570814589 7.8813570814589 11.2146904147922 8.60658035418037 10.3565803541804 11.5480237481256 7.8813570814589 10.8813570814589 10.3565803541804 7.60658035418037 11.8813570814589 10.6227734298283 7.35658035418037 7.85658035418037 8.10658035418037 6.04303505856999 7.54802374812555 7.8813570814589 7.54802374812555 11.54303505857 10.3565803541804 7.35658035418037 3.62277342982826 10.3565803541804 11.5480237481256 11.8813570814589 5.35658035418037 12.2177498276552 9.88787547744594 9.55800112723668 10.2894400964949 4.5 malate 465999 233 200872 9.552684596535 9.552684596535 10.302684596535 9.052684596535 9.302684596535 11.6552160163187 9.98854934965207 9.84420277977657 11.552684596535 12.3218826829854 13.643759001073 5.302684596535 11.802684596535 11.552684596535 7.65521601631873 10.6552160163187 8.802684596535 13.6552160163187 10.6552160163187 12.3218826829854 10.6552160163187 10.552684596535 7.552684596535 7.802684596535 11.052684596535 9.552684596535 10.302684596535 8.302684596535 6.552684596535 8.552684596535 11.052684596535 10.9885493496521 7.802684596535 10.802684596535 8.552684596535 2.802684596535 7.802684596535 8.552684596535 6.552684596535 10.802684596535 13.052684596535 9.302684596535 7.802684596535 6.29628947765009 4.62962281098342 11.0816967790613 5.60536919306999 10.552684596535 11.461610191997 9.552684596535 5.29628947765009 8.302684596535 9.96295614431676 10.302684596535 10.052684596535 7.96295614431676 8.052684596535 9.552684596535 5.6781300468103 12.2962894776501 10.552684596535 11.2962894776501 7.96295614431676 9.302684596535 9.2962894776501 7.62962281098343 8.62962281098343 14.052684596535 13.052684596535 10.9629561443168 12.2962894776501 11.2962894776501 8.552684596535 10.802684596535 8.96295614431676 11.7483634457279 11.052684596535 12.552684596535 11.552684596535 10.461610191997 9.2962894776501 13.2962894776501 13.6296228109834 13.461610191997 12.302684596535 10.302684596535 11.4150301123946 11.802684596535 12.6296228109834 12.2962894776501 9.052684596535 13.6781300468103 11.3218890478832 12.9656480489562 8.4150301123946 5 linoleic acid 777102 337 199240 6.49333207432719 3.24333207432719 4.24333207432719 4.99333207432719 5.74333207432719 6.52837053654551 5.86170386987885 5.78554249435665 5.24333207432719 5.52837053654551 6.98420539769887 2.99333207432719 4.99333207432719 4.74333207432719 5.19503720321218 4.52837053654551 2.74333207432719 5.86170386987885 2.19503720321218 6.86170386987885 4.86170386987885 4.74333207432719 3.99333207432719 6.24333207432719 6.49333207432719 5.99333207432719 4.24333207432719 4.99333207432719 3.99333207432719 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6.2571742599339 1.0071742599339 1.00717425993391 3.50717425993391 6.5071742599339 3.75717425993391 10.0071742599339 6.2571742599339 1.00717425993392 1.69376065692453 5.3604273235912 4.21343281647708 2.01434851986781 3.50717425993391 7.8464416902346 1.00717425993391 5.69376065692453 1.0071742599339 1.69376065692453 1.0071742599339 3.5071742599339 8.3604273235912 5.5071742599339 7.0071742599339 1.05258493103797 5.3604273235912 3.75717425993391 5.02709399025786 5.3604273235912 8.7571742599339 9.3604273235912 8.69376065692453 5.3604273235912 12.7571742599339 11.7571742599339 1.69376065692453 5.3604273235912 8.69376065692453 6.5071742599339 3.50717425993391 12.6937606569245 7.21343281647708 3.50717425993391 9.2571742599339 6.2571742599339 7.3464416902346 9.69376065692453 13.3604273235912 5.3604273235912 7.8464416902346 12.2571742599339 1.00717425993391 4.54676614981041 6.7571742599339 12.3604273235912 9.02709399025786 6.7571742599339 14.052584931038 11.7204917606712 1.38839859030438 8.88009948314375 5.5 galactose 647787 160 202679 12.9209496141132 3.42094961411321 8.67094961411322 9.17094961411322 9.17094961411322 12.3264462483678 7.99311291503448 10.5181219401243 10.4209496141132 11.6597795817011 12.4249530545117 7.17094961411321 8.42094961411321 6.92094961411321 4.65977958170114 8.65977958170114 3.42094961411321 4.65977958170114 6.65977958170114 12.3264462483678 3.99311291503447 6.17094961411321 5.42094961411322 8.42094961411321 9.92094961411321 8.92094961411321 6.67094961411321 8.67094961411321 9.42094961411321 8.67094961411321 8.67094961411321 4.65977958170114 9.17094961411321 9.92094961411321 6.92094961411321 6.42094961411321 3.42094961411321 12.1709496141132 3.42094961411322 6.67094961411321 10.6709496141132 9.92094961411321 2.42094961411321 4.60441036417765 7.93774369751098 3.9014865704498 0.341899228226432 9.17094961411321 10.4169461737148 5.67094961411321 11.6044103641777 5.67094961411321 4.93774369751098 7.42094961411321 6.17094961411321 12.6044103641777 11.1709496141132 9.42094961411321 7.12943263608008 4.93774369751098 7.67094961411321 9.27107703084431 7.60441036417765 3.42094961411321 12.6044103641776 4.60441036417765 8.60441036417765 6.67094961411321 3.17094961411322 7.93774369751098 12.2710770308443 4.93774369751099 8.17094961411321 9.42094961411321 9.60441036417765 7.56815323711647 10.4209496141132 6.17094961411321 2.92094961411321 7.41694617371475 7.93774369751098 12.2710770308443 12.937743697511 10.9169461737148 3.42094961411322 6.17094961411321 3.9014865704498 8.67094961411321 8.93774369751098 12.937743697511 9.92094961411321 14.1294326360801 1.55438569059175 7.97933874510344 6.56815323711647 4.99999999999999 beta-alanine 431950 248 227997 2.31887286182925 0.318872861829249 3.31887286182925 1.81887286182925 2.06887286182925 2.6758361543944 2.6758361543944 3.03619990935435 4.56887286182925 2.6758361543944 4.93030837196463 0.318872861829254 3.81887286182925 3.56887286182925 3.00916948772773 3.34250282106106 1.81887286182925 6.00916948772773 0.675836154394398 5.00916948772773 3.00916948772773 1.81887286182925 1.81887286182925 3.31887286182925 3.81887286182925 2.06887286182925 1.56887286182925 3.06887286182925 3.81887286182925 1.81887286182925 3.81887286182925 2.6758361543944 1.81887286182925 2.06887286182925 2.06887286182925 2.81887286182925 0.31887286182925 2.06887286182925 0.318872861829251 3.31887286182925 4.31887286182925 3.31887286182925 1.31887286182925 2.14746105552364 2.48079438885697 2.08266099471127 0.637745723658492 5.06887286182925 2.70743735169386 2.06887286182925 2.81412772219031 3.31887286182925 2.48079438885697 3.56887286182925 5.06887286182925 4.48079438885697 1.81887286182925 5.56887286182925 -0.833108280746069 4.8141277221903 4.06887286182925 4.14746105552364 5.48079438885697 4.31887286182925 2.81412772219031 2.81412772219031 4.8141277221903 6.06887286182925 3.81887286182925 5.81412772219031 2.48079438885697 5.14746105552364 5.31887286182925 4.06887286182925 7.8141277221903 4.74932766137794 2.06887286182925 3.81887286182925 5.31887286182925 2.70743735169386 4.81412772219031 4.8141277221903 7.8141277221903 6.20743735169386 5.31887286182925 0.31887286182925 2.08266099471127 4.31887286182925 5.14746105552364 7.48079438885697 2.31887286182925 7.16689171925393 3.09720009121856 2.02750846318319 4.74932766137793 3 phytol 761377 143 199184 13.5068903966687 10.2568903966687 8.75689039666868 8.50689039666868 9.00689039666868 11.6313152310329 11.9646485643662 11.6686522597798 11.0068903966687 11.2979818976995 12.9361704428816 3.50689039666868 5.75689039666868 9.50689039666868 8.63131523103287 6.63131523103286 10.0068903966687 11.6313152310329 4.63131523103287 11.9646485643662 10.2979818976995 11.0068903966687 5.25689039666868 7.75689039666868 9.00689039666868 9.00689039666868 10.7568903966687 8.50689039666868 6.50689039666868 8.50689039666868 10.7568903966687 0.297981897699527 6.50689039666868 11.5068903966687 2.50689039666868 2.75689039666868 5.25689039666868 6.75689039666868 6.75689039666868 10.7568903966687 11.5068903966687 10.7568903966687 7.50689039666868 6.3497221313367 8.3497221313367 10.044538631192 4.51378079333735 12.2568903966687 11.5776103504557 7.75689039666868 5.01638879800336 5.00689039666868 7.3497221313367 10.0068903966687 9.25689039666868 9.01638879800336 8.50689039666868 9.75689039666868 1.02160480733538 11.68305546467 10.7568903966687 3.3497221313367 8.01638879800336 9.50689039666868 9.01638879800337 11.3497221313367 5.01638879800336 12.5068903966687 11.5068903966687 11.68305546467 8.01638879800336 11.68305546467 12.7568903966687 9.50689039666868 4.68305546467003 12.044538631192 9.25689039666868 10.0068903966687 11.7568903966687 3.57761035045574 4.68305546467003 8.68305546467003 9.3497221313367 7.57761035045574 9.00689039666868 4.75689039666868 7.04453863119204 8.25689039666868 8.3497221313367 11.68305546467 8.00689039666868 1.02160480733538 8.957775250217 12.8939456930986 10.7112052978587 4.5 serine 391397 204 227962 6.02938203828623 5.52938203828622 7.77938203828622 7.52938203828622 11.7793820382862 4.20275649333114 8.20275649333114 7.69160800096305 6.02938203828622 4.20275649333114 6.28278266486884 7.02938203828622 9.27938203828622 5.77938203828622 8.53608982666447 4.20275649333114 2.02938203828622 -0.130576840002194 7.53608982666448 4.53608982666447 7.8694231599978 4.27938203828622 11.7793820382862 8.02938203828622 2.77938203828622 2.27938203828622 2.02938203828622 5.77938203828622 5.77938203828622 8.27938203828622 6.02938203828622 11.8694231599978 8.52938203828622 8.77938203828622 8.52938203828622 11.0293820382862 8.52938203828622 2.77938203828622 7.77938203828622 5.77938203828622 5.77938203828622 11.5293820382862 8.27938203828623 3.72007743446687 7.05341076780021 3.50308622438381 11.0587640765725 2.77938203828622 4.7759814117036 10.7793820382862 11.3867441011335 9.02938203828622 12.3867441011335 2.77938203828622 5.52938203828622 8.05341076780021 2.02938203828622 2.52938203828622 1.04270415025574 3.72007743446687 4.52938203828622 3.72007743446687 8.0534107678002 2.27938203828622 3.72007743446688 7.72007743446687 3.72007743446687 2.77938203828622 2.77938203828622 3.72007743446687 8.0534107678002 3.72007743446688 2.52938203828622 2.52938203828622 9.72007743446688 3.50308622438381 5.77938203828622 2.52938203828622 2.77938203828622 -0.224018588296411 3.05341076780021 4.05341076780021 3.72007743446687 5.77598141170359 2.52938203828622 8.27938203828622 6.83641955771715 5.77938203828622 -0.279922565533128 4.05341076780021 2.52938203828622 1.04270415025574 0.325486815124582 -0.391730520006575 7.50308622438381 11.5 ribose 553606 307 205473 3.69840746902248 2.19840746902248 3.44840746902248 1.44840746902248 2.94840746902248 3.25108206756755 0.251082067567554 1.74134037831807 2.19840746902248 1.91774873423422 3.59181873078348 0.198407469022476 2.69840746902248 0.698407469022475 0.251082067567549 2.25108206756755 1.19840746902248 3.25108206756755 0.251082067567548 2.91774873423422 0.917748734234217 3.19840746902248 0.198407469022481 2.69840746902248 2.94840746902248 1.19840746902248 3.19840746902248 2.94840746902248 2.69840746902248 0.698407469022478 2.19840746902248 0.251082067567551 2.69840746902248 3.69840746902248 1.19840746902248 1.94840746902248 1.44840746902248 3.19840746902248 1.19840746902248 2.19840746902248 3.44840746902248 0.198407469022479 1.19840746902248 0.121079539075201 2.1210795390752 1.68012789112909 0.396814938044952 4.44840746902248 1.80499620726148 1.44840746902248 1.78774620574187 1.19840746902248 2.1210795390752 3.44840746902248 3.69840746902248 4.1210795390752 3.44840746902248 4.19840746902248 -0.430391258864304 3.1210795390752 2.69840746902248 2.1210795390752 4.1210795390752 3.44840746902248 3.78774620574187 2.45441287240853 3.78774620574187 5.69840746902248 5.19840746902248 3.78774620574187 3.45441287240854 1.78774620574187 2.94840746902248 2.94840746902248 3.45441287240854 3.34679455779576 2.19840746902248 4.19840746902248 2.94840746902248 -0.195003792738521 3.78774620574187 3.78774620574187 3.45441287240854 4.80499620726148 1.44840746902248 1.44840746902248 0.0134612244624241 2.94840746902248 5.78774620574187 3.78774620574187 1.69840746902248 -0.430391258864304 0.161427471919172 5.75324620270265 4.01346122446242 1.5 hydroxylamine 252988 146 200931 7.50470688387806 2.50470688387806 7.00470688387807 5.00470688387806 1.50470688387806 11.0599651279054 7.05996512790545 6.69678619469726 4.75470688387806 6.72663179457212 10.1257132161479 3.75470688387806 5.50470688387806 6.75470688387806 3.39329846123878 9.3932984612388 2.00470688387806 9.39329846123878 7.39329846123878 11.0599651279054 3.72663179457212 2.50470688387806 4.00470688387806 8.25470688387806 5.25470688387806 10.7547068838781 7.25470688387806 7.75470688387806 2.25470688387806 7.00470688387806 5.50470688387806 5.39329846123878 4.50470688387806 5.25470688387806 2.25470688387806 5.00470688387806 1.50470688387806 -0.495293116121939 5.00470688387806 8.00470688387806 -0.495293116121938 2.25470688387806 -0.495293116121947 8.64909882897757 3.9824321623109 6.61297738393196 -0.990586232243879 5.25470688387806 4.88370055160818 1.75470688387806 2.64909882897757 1.50470688387806 2.9824321623109 5.25470688387806 3.75470688387806 8.9824321623109 5.25470688387806 4.75470688387806 0.928468951420458 5.31576549564423 2.25470688387806 9.31576549564424 6.31576549564423 5.00470688387806 2.9824321623109 2.9824321623109 2.9824321623109 5.25470688387806 5.50470688387806 2.9824321623109 9.31576549564424 2.9824321623109 6.00470688387806 6.50470688387806 7.9824321623109 3.27964405059863 7.00470688387806 2.00470688387806 6.75470688387806 4.88370055160817 5.64909882897757 6.64909882897757 2.9824321623109 10.8837005516082 4.25470688387806 3.75470688387806 5.9463107172653 6.25470688387806 2.64909882897757 2.9824321623109 6.75470688387806 0.928468951420454 5.5541821675684 11.1798953837164 9.61297738393196 -4.44089209850063e-15 maltose 1 946798 361 204171 3.78000195558168 0.280001955581673 0.280001955581675 0.280001955581678 0.280001955581675 0.258189531007636 0.258189531007635 0.186403935421228 1.53000195558168 0.258189531007635 6.10688628847995 0.280001955581677 0.280001955581676 0.280001955581676 3.59152286434097 0.258189531007637 0.280001955581678 5.25818953100763 2.25818953100764 3.25818953100764 2.25818953100764 3.28000195558167 0.280001955581675 0.280001955581676 2.03000195558168 1.78000195558168 0.280001955581675 1.78000195558167 1.28000195558168 0.280001955581677 0.280001955581675 2.25818953100763 0.280001955581677 1.28000195558168 3.53000195558167 0.280001955581675 0.280001955581676 2.53000195558167 0.280001955581676 2.28000195558167 2.53000195558167 2.03000195558167 0.280001955581681 0.560267946129906 2.89360127946324 0.11514640976793 0.560003911163351 2.03000195558168 0.453117622683404 0.280001955581677 2.22693461279657 0.280001955581677 2.56026794612991 0.280001955581676 3.53000195558167 2.22693461279657 1.78000195558167 5.53000195558167 0.560796016063015 2.22693461279657 0.280001955581675 2.89360127946324 2.56026794612991 3.28000195558167 4.89360127946324 2.22693461279657 2.56026794612991 4.28000195558167 3.53000195558167 4.89360127946324 2.22693461279657 2.56026794612991 2.78000195558167 3.28000195558167 3.89360127946324 5.7818130764346 4.03000195558167 2.53000195558167 3.28000195558167 0.453117622683403 2.89360127946324 2.22693461279657 4.22693461279657 0.453117622683404 0.280001955581676 0.280001955581676 1.44847974310126 0.780001955581676 2.56026794612991 5.56026794612991 2.53000195558168 0.560796016063014 2.66768230454296 0.774568593022909 1.7818130764346 1.77635683940025e-15 leucrose 887898 204 202085 5.67165976483974 3.67165976483974 5.17165976483974 5.42165976483974 6.92165976483974 7.20750555601086 5.20750555601087 5.17737598807005 4.92165976483974 7.20750555601086 7.7340027864419 1.67165976483974 5.42165976483974 2.17165976483974 4.87417222267753 5.20750555601087 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6.61371671816925 4.35470746377546 6.67165976483974 5.42165976483974 4.92165976483974 4.10931674323758 6.94705005150258 2.94705005150258 2.61371671816925 3.60931674323758 1.92165976483974 0.171659764839742 2.02137413044213 3.67165976483974 2.94705005150258 4.94705005150258 5.17165976483974 1.1545110951488 0.88851388159069 0.622516668032576 2.02137413044213 7.105427357601e-15 pelargonic acid 399163 117 201810 8.35981521744369 7.85981521744368 9.6098152174437 7.10981521744369 5.85981521744369 10.4872480913516 7.15391475801824 10.0313849130402 5.60981521744369 7.15391475801823 10.5583190717002 5.35981521744369 8.35981521744369 6.85981521744369 3.82058142468491 9.15391475801824 3.10981521744369 10.1539147580182 6.8205814246849 10.4872480913516 3.8205814246849 7.85981521744369 3.10981521744369 7.85981521744369 8.60981521744369 10.3598152174437 7.35981521744369 7.60981521744369 5.60981521744369 5.60981521744369 8.60981521744369 6.15391475801823 5.60981521744369 8.60981521744369 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4.43285211980792 1.57068666907429 2.07068666907429 0.766185453141254 4.67933533209291 1.57068666907429 3.57068666907429 4.57068666907429 4.02690783970267 5.09951878647459 4.76618545314125 2.43285211980792 3.02690783970267 1.57068666907429 3.57068666907429 1.67933533209291 1.57068666907429 0.766185453141254 6.09951878647459 0.320686669074294 1.0158096831266 3.63027518157251 1.24474068001842 0.012668665426248 8.88178419700125e-16 1,2,4-benzenetriol 522741 239 205673 7.83592599517204 5.83592599517204 5.83592599517204 5.58592599517204 7.33592599517204 8.03117072479558 8.03117072479557 5.16720081154893 5.83592599517204 5.03117072479558 7.62570531417268 2.33592599517204 2.08592599517204 5.83592599517204 2.36450405812891 5.69783739146224 0.335925995172036 6.03117072479557 2.69783739146224 4.69783739146224 2.69783739146224 5.33592599517204 5.33592599517204 3.33592599517204 5.58592599517204 5.08592599517204 7.58592599517203 4.33592599517204 2.33592599517204 0.335925995172038 5.58592599517204 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2.72860184224318 5.83592599517204 0.84210154604137 0.967806860214054 6.09351217438674 4.7500639354338 2.99999999999999 threitol 467314 217 202661 2.18016415567604 1.93016415567604 1.93016415567604 1.93016415567604 1.93016415567604 2.74291285043531 2.74291285043531 2.16434449551967 1.93016415567604 5.07624618376864 3.50055770758039 3.43016415567604 3.68016415567604 1.68016415567604 7.40957951710197 3.07624618376865 0.18016415567604 3.07624618376865 2.74291285043531 5.07624618376865 2.74291285043531 3.43016415567604 1.93016415567604 1.43016415567604 1.93016415567604 3.43016415567604 1.93016415567604 1.93016415567604 2.93016415567604 1.93016415567604 3.93016415567604 2.74291285043531 3.18016415567604 3.93016415567604 1.93016415567604 3.43016415567604 1.93016415567604 1.68016415567604 1.93016415567604 1.93016415567604 0.180164155676041 3.43016415567604 0.180164155676039 0.649426586283108 0.649426586283107 -0.169360642867259 0.36032831135208 1.93016415567604 3.85977060377169 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0.0809617416540345 2.61789235665199 4.61789235665198 5.7476284083207 2.7476284083207 5.7476284083207 4.36789235665198 2.11789235665199 6.41429507498737 5.0489903008319 6.11789235665198 6.11789235665198 5.86789235665198 -0.0408566495750677 2.41429507498737 0.0809617416540367 2.7476284083207 3.95914335042493 2.36789235665199 5.61789235665198 0.0489903008319001 2.11789235665199 5.41429507498737 8.08096174165404 0.117892356651986 8.77131579835417 7.0479571612332 0.324598524112237 6.38232363416523 4 ornithine 4TMS 618525 142 225209 5.90216808612273 1.90216808612273 1.90216808612273 3.65216808612273 3.65216808612273 7.39992286316721 2.73325619650054 1.92013369848704 1.90216808612273 5.73325619650054 8.6757486702359 1.65216808612273 3.90216808612273 3.65216808612273 5.39992286316721 5.06658952983387 1.90216808612273 8.06658952983387 2.73325619650054 2.73325619650054 2.3999228631672 1.90216808612273 1.65216808612273 1.90216808612273 6.15216808612273 5.65216808612273 1.65216808612273 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2.15216808612273 2.1363012516631 4.15216808612273 5.81898119784024 2.81898119784024 3.65216808612273 7.84827124902981 1.52401991926571 9.19976858950161 2.46963458499644 8.88178419700125e-15 coniferin (ref Tree Physiol) 1024041 169 208669 3.85287703164081 1.10287703164081 1.10287703164081 1.10287703164081 3.85287703164081 3.74154775102169 1.74154775102169 1.95972115529254 1.35287703164081 1.74154775102169 5.34614929618972 1.60287703164081 0.102877031640811 3.10287703164081 3.07488108435502 1.74154775102169 1.35287703164081 4.74154775102169 0.0748810843550243 4.07488108435502 1.07488108435502 1.35287703164081 0.102877031640813 2.35287703164081 3.10287703164081 0.10287703164081 0.102877031640814 2.10287703164081 1.35287703164081 0.102877031640813 1.35287703164081 1.74154775102169 3.85287703164081 3.85287703164081 3.35287703164081 0.102877031640813 0.102877031640809 4.85287703164081 1.35287703164081 1.35287703164081 3.85287703164081 3.85287703164081 0.102877031640808 1.98128426241629 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