| Molecule ID | Molecule name | OB (%) | DL (%) | Source |
| MOL002211 | 11,14-Eicosadienoic acid | 39.99 | 0.2 | FZ1 | MOL002388 | Delphin_qt | 57.76 | 0.28 | FZ2 | MOL002392 | Deltoin | 46.69 | 0.37 | FZ3 | MOL002393 | Demethyldelavaine A | 34.52 | 0.18 | FZ4 | MOL002394 | Demethyldelavaine B | 34.52 | 0.18 | FZ5 | MOL002395 | Deoxyandrographolide | 56.3 | 0.31 | FZ6 | MOL002397 | Karakoline | 51.73 | 0.73 | FZ7 | MOL002398 | Karanjin | 69.56 | 0.34 | FZ8 | MOL002401 | Neokadsuranic acid B | 43.1 | 0.85 | FZ9 | MOL002406 | 2,7-Dideacetyl-2,7-dibenzoyl-taxayunnanine F | 39.43 | 0.38 | FZ10 | MOL002410 | Benzoylnapelline | 34.06 | 0.53 | FZ11 | MOL002415 | 6-Demethyldesoline | 51.87 | 0.66 | FZ12 | MOL002416 | Deoxyaconitine | 30.96 | 0.24 | FZ13 | MOL002419 | (R)-Norcoclaurine | 82.54 | 0.21 | FZ14 | MOL002421 | Ignavine | 84.08 | 0.25 | FZ15 | MOL002422 | Isotalatizidine | 50.82 | 0.73 | FZ16 | MOL002423 | Jesaconitine | 33.41 | 0.19 | FZ17 | MOL002433 | (3R,8S,9R,10 R,13R,14S,17R)-3-Hydroxy-4,4,9,13,14-pentamethyl-17-[(E,2R)-6-methyl-7-[(2R,3 R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3 R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-1,2,3,7,8,10,12,15,16,17-decahydr | 41.52 | 0.22 | FZ18 | MOL002434 | Carnosifloside I_qt | 38.16 | 0.8 | FZ19 | MOL000359 | Sitosterol | 36.91 | 0.75 | FZ20 | MOL000538 | Hypaconitine | 31.39 | 0.26 | FZ21 | MOL002464 | 1-Monolinolein | 37.18 | 0.3 | GJ1 | MOL002501 | [(1S)-3-[(E)-but-2-enyl]-2-Methyl-4-oxo-1-cyclopent-2-enyl] (1r,3 R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate | 62.52 | 0.31 | GJ2 | MOL002514 | Sexangularetin | 62.86 | 0.3 | GJ3 | MOL000358 | Beta-sitosterol | 36.91 | 0.75 | GJ4 | MOL000359 | Sitosterol | 36.91 | 0.75 | GJ5 | MOL000020 | 12-Senecioyl-2E,8 E,10E-atractylentriol | 62.4 | 0.22 | BZ1 | MOL000021 | 14-Acetyl-12-senecioyl-2E,8 E,10E-atractylentriol | 60.31 | 0.31 | BZ2 | MOL000022 | 14-Acetyl-12-senecioyl-2E,8Z,10E-atractylentriol | 63.37 | 0.3 | BZ3 | MOL000028 | α-Amyrin | 39.51 | 0.76 | BZ4 | MOL000033 | (3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R,5S)-5-propan-2-yloctan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol | 36.23 | 0.78 | BZ5 | MOL000049 | 3β-Acetoxyatractylone | 54.07 | 0.22 | BZ6 | MOL000072 | 8β-Ethoxy atractylenolide III | 35.95 | 0.21 | BZ7 | MOL002879 | Diop | 43.59 | 0.39 | RS1 | MOL000449 | Stigmasterol | 43.83 | 0.76 | RS2 | MOL000358 | Beta-sitosterol | 36.91 | 0.75 | RS3 | MOL003648 | Inermin | 65.83 | 0.54 | RS4 | MOL000422 | Kaempferol | 41.88 | 0.24 | RS5 | MOL004492 | Chrysanthemaxanthin | 38.72 | 0.58 | RS6 | MOL005308 | Aposiopolamine | 66.65 | 0.22 | RS7 | MOL005314 | Celabenzine | 101.88 | 0.49 | RS8 | MOL005317 | Deoxyharringtonine | 39.27 | 0.81 | RS9 | MOL005318 | Dianthramine | 40.45 | 0.2 | RS10 | MOL005320 | Arachidonate | 45.57 | 0.2 | RS11 | MOL005321 | Frutinone A | 65.9 | 0.34 | RS12 | MOL005344 | Ginsenoside rh2 | 36.32 | 0.56 | RS13 | MOL005348 | Ginsenoside-Rh4_qt | 31.11 | 0.78 | RS14 | MOL005356 | Girinimbin | 61.22 | 0.31 | RS15 | MOL005357 | Gomisin B | 31.99 | 0.83 | RS16 | MOL005360 | Malkangunin | 57.71 | 0.63 | RS17 | MOL005376 | Panaxadiol | 33.09 | 0.79 | RS18 | MOL005384 | Suchilactone | 57.52 | 0.56 | RS19 | MOL005399 | Alexandrin_qt | 36.91 | 0.75 | RS20 | MOL005401 | Ginsenoside Rg5_qt | 39.56 | 0.79 | RS21 | MOL000787 | Fumarine | 59.26 | 0.83 | RS22 | MOL001484 | Inermine | 75.18 | 0.54 | GC1 | MOL001792 | DFV | 32.76 | 0.18 | GC2 | MOL000211 | Mairin | 55.38 | 0.78 | GC3 | MOL002311 | Glycyrol | 90.78 | 0.67 | GC4 | MOL000239 | Jaranol | 50.83 | 0.29 | GC5 | MOL002565 | Medicarpin | 49.22 | 0.34 | GC6 | MOL000354 | Isorhamnetin | 49.6 | 0.31 | GC7 | MOL000359 | Sitosterol | 36.91 | 0.75 | GC8 | MOL003656 | Lupiwighteone | 51.64 | 0.37 | GC9 | MOL003896 | 7-Methoxy-2-methyl isoflavone | 42.56 | 0.2 | GC10 | MOL000392 | Formononetin | 69.67 | 0.21 | GC11 | MOL000417 | Calycosin | 47.75 | 0.24 | GC12 | MOL000422 | Kaempferol | 41.88 | 0.24 | GC13 | MOL004328 | Naringenin | 59.29 | 0.21 | GC14 | MOL004805 | (2S)-2-[4-Hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one | 31.79 | 0.72 | GC15 | MOL004806 | Euchrenone | 30.29 | 0.57 | GC16 | MOL004808 | Glyasperin B | 65.22 | 0.44 | GC17 | MOL004810 | Glyasperin F | 75.84 | 0.54 | GC18 | MOL004811 | Glyasperin C | 45.56 | 0.4 | GC19 | MOL004814 | Isotrifoliol | 31.94 | 0.42 | GC20 | MOL004815 | (E)-1-(2,4-Dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-one | 39.62 | 0.35 | GC21 | MOL004820 | Kanzonols W | 50.48 | 0.52 | GC22 | MOL004824 | (2S)-6-(2,4-Dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one | 60.25 | 0.63 | GC23 | MOL004827 | Semilicoisoflavone B | 48.78 | 0.55 | GC24 | MOL004828 | Glepidotin A | 44.72 | 0.35 | GC25 | MOL004829 | Glepidotin B | 64.46 | 0.34 | GC26 | MOL004833 | Phaseolinisoflavan | 32.01 | 0.45 | GC27 | MOL004835 | Glypallichalcone | 61.6 | 0.19 | GC28 | MOL004838 | 8-(6-Hydroxy-2-benzofuranyl)-2,2-dimethyl-5-chromenol | 58.44 | 0.38 | GC29 | MOL004841 | Licochalcone B | 76.76 | 0.19 | GC30 | MOL004848 | Licochalcone G | 49.25 | 0.32 | GC31 | MOL004849 | 3-(2,4-Dihydroxyphenyl)-8-(1,1-dimethylprop-2-enyl)-7-hydroxy-5-methoxy-coumarin | 59.62 | 0.43 | GC32 | MOL004855 | Licoricone | 63.58 | 0.47 | GC33 | MOL004856 | Gancaonin A | 51.08 | 0.4 | GC34 | MOL004857 | Gancaonin B | 48.79 | 0.45 | GC35 | MOL004860 | Licorice glycoside E | 32.89 | 0.27 | GC36 | MOL004863 | 3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromone | 66.37 | 0.41 | GC37 | MOL004864 | 5,7-Dihydroxy-3-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromone | 30.49 | 0.41 | GC38 | MOL004866 | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromone | 44.15 | 0.41 | GC39 | MOL004879 | Glycyrin | 52.61 | 0.47 | GC40 | MOL004882 | Licocoumarone | 33.21 | 0.36 | GC41 | MOL004883 | Licoisoflavone | 41.61 | 0.42 | GC42 | MOL004884 | Licoisoflavone B | 38.93 | 0.55 | GC43 | MOL004885 | Licoisoflavanone | 52.47 | 0.54 | GC44 | MOL004891 | Shinpterocarpin | 80.3 | 0.73 | GC45 | MOL004898 | (E)-3-[3,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one | 46.27 | 0.31 | GC46 | MOL004903 | Liquiritin | 65.69 | 0.74 | GC47 | MOL004904 | Licopyranocoumarin | 80.36 | 0.65 | GC48 | MOL004905 | 3,22-Dihydroxy-11-oxo-delta(12)-oleanene-27-alpha-methoxycarbonyl-29-oic acid | 34.32 | 0.55 | GC49 | MOL004907 | Glyzaglabrin | 61.07 | 0.35 | GC50 | MOL004908 | Glabridin | 53.25 | 0.47 | GC51 | MOL004910 | Glabranin | 52.9 | 0.31 | GC52 | MOL004911 | Glabrene | 46.27 | 0.44 | GC53 | MOL004912 | Glabrone | 52.51 | 0.5 | GC54 | MOL004913 | 1,3-Dihydroxy-9-methoxy-6-benzofurano [3,2-c]chromenone | 48.14 | 0.43 | GC55 | MOL004914 | 1,3-Dihydroxy-8,9-dimethoxy-6-benzofurano [3,2-c]chromenone | 62.9 | 0.53 | GC56 | MOL004915 | Eurycarpin A | 43.28 | 0.37 | GC57 | MOL004917 | Glycyroside | 37.25 | 0.79 | GC58 | MOL004924 | (-)-Medicocarpin | 40.99 | 0.95 | GC59 | MOL004935 | Sigmoidin-B | 34.88 | 0.41 | GC60 | MOL004941 | (2R)-7-Hydroxy-2-(4-hydroxyphenyl)chroman-4-one | 71.12 | 0.18 | GC61 | MOL004945 | (2S)-7-Hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one | 36.57 | 0.32 | GC62 | MOL004948 | Isoglycyrol | 44.7 | 0.84 | GC63 | MOL004949 | Isolicoflavonol | 45.17 | 0.42 | GC64 | MOL004957 | HMO | 38.37 | 0.21 | GC65 | MOL004959 | 1-Methoxyphaseollidin | 69.98 | 0.64 | GC66 | MOL004961 | Quercetin der. | 46.45 | 0.33 | GC67 | MOL004966 | 3'-Hydroxy-4'-O-Methylglabridin | 43.71 | 0.57 | GC68 | MOL000497 | Licochalcone a | 40.79 | 0.29 | GC69 | MOL004974 | 3'-Methoxyglabridin | 46.16 | 0.57 | GC70 | MOL004978 | 2-[(3R)-8,8-Dimethyl-3,4-dihydro-2h-pyrano [6,5-f]chromen-3-yl]-5-methoxyphenol | 36.21 | 0.52 | GC71 | MOL004980 | Inflacoumarin A | 39.71 | 0.33 | GC72 | MOL004985 | Icos-5-enoic acid | 30.7 | 0.2 | GC73 | MOL004988 | Kanzonol F | 32.47 | 0.89 | GC74 | MOL004989 | 6-Prenylated eriodictyol | 39.22 | 0.41 | GC75 | MOL004990 | 7,2',4'-Trihydroxy-5-methoxy-3-arylcoumarin | 83.71 | 0.27 | GC76 | MOL004991 | 7-Acetoxy-2-methylisoflavone | 38.92 | 0.26 | GC77 | MOL004993 | 8-Prenylated eriodictyol | 53.79 | 0.4 | GC78 | MOL004996 | Gadelaidic acid | 30.7 | 0.2 | GC79 | MOL000500 | Vestitol | 74.66 | 0.21 | GC80 | MOL005000 | Gancaonin G | 60.44 | 0.39 | GC81 | MOL005001 | Gancaonin H | 50.1 | 0.78 | GC82 | MOL005003 | Licoagrocarpin | 58.81 | 0.58 | GC83 | MOL005007 | Glyasperins M | 72.67 | 0.59 | GC84 | MOL005008 | Glycyrrhiza flavonol A | 41.28 | 0.6 | GC85 | MOL005012 | Licoagroisoflavone | 57.28 | 0.49 | GC86 | MOL005013 | 18α-Hydroxyglycyrrhetic acid | 41.16 | 0.71 | GC87 | MOL005016 | Odoratin | 49.95 | 0.3 | GC88 | MOL005017 | Phaseol | 78.77 | 0.58 | GC89 | MOL005018 | Xambioona | 54.85 | 0.87 | GC90 | MOL005020 | Dehydroglyasperins C | 53.82 | 0.37 | GC91 | MOL000098 | Quercetin | 46.43 | 0.28 | GC92 | MOL000359 | Sitosterol | 36.91 | 0.75 | FZ20, Gj5, GC8 (A1) | MOL000358 | Beta-sitosterol | 36.91 | 0.75 | GJ4, RS3(B1) | MOL000422 | Kaempferol | 41.88 | 0.24 | RS5,GC13(C1) |
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