| Herb | Mol ID | Molecule name | MW | OB (%) | DL |
| SZY | MOL001494 | Mandenol | 308.56 | 42.00 | 0.19 | SZY | MOL001495 | Ethyl linolenate | 306.54 | 46.10 | 0.20 | SZY | MOL001771 | Poriferast-5-en-3beta-ol | 414.79 | 36.91 | 0.75 | SZY | MOL002879 | Diop | 390.62 | 43.59 | 0.39 | SZY | MOL003137 | Leucanthoside | 462.44 | 32.12 | 0.78 | SZY | MOL005360 | Malkangunin | 432.56 | 57.71 | 0.63 | SZY | MOL005481 | 2,6,10,14,18-Pentamethylicosa-2,6,10,14,18-Pentaene | 342.67 | 33.40 | 0.24 | SZY | MOL005486 | 3,4-Dehydrolycopen-16-al | 548.92 | 46.64 | 0.49 | SZY | MOL005489 | 3,6-Digalloylglucose | 484.40 | 31.42 | 0.66 | SZY | MOL005503 | Cornudentanone | 378.56 | 39.66 | 0.33 | SZY | MOL005530 | Hydroxygenkwanin | 300.28 | 36.47 | 0.27 | SZY | MOL005531 | Telocinobufagin | 402.58 | 69.99 | 0.79 | SZY | MOL008457 | Tetrahydroalstonine | 352.47 | 32.42 | 0.81 | SZY | MOL000554 | Gallic acid-3-O-(6′-O-galloyl)-glucoside | 484.40 | 30.25 | 0.67 | SZY | MOL005552 | Gemin D | 634.49 | 68.83 | 0.56 | SZY | MOL005557 | Lanosta-8, 24-dien-3-ol, 3-acetate | 468.84 | 44.30 | 0.82 | SY | MOL001559 | Piperlonguminine | 273.36 | 30.71 | 0.18 | SY | MOL001736 | (-)-Taxifolin | 304.27 | 60.51 | 0.27 | SY | MOL000310 | Denudatin B | 356.45 | 61.47 | 0.38 | SY | MOL000322 | Kadsurenone | 356.45 | 54.72 | 0.38 | SY | MOL005429 | Hancinol | 372.50 | 64.01 | 0.37 | SY | MOL005430 | Hancinone C | 400.51 | 59.05 | 0.39 | SY | MOL005435 | 24-Methylcholest-5-enyl-3belta-O-glucopyranoside_qt | 400.76 | 37.58 | 0.72 | SY | MOL005438 | Campesterol | 400.76 | 37.58 | 0.71 | SY | MOL005440 | Isofucosterol | 412.77 | 43.78 | 0.76 | SY | MOL005458 | Dioscoreside C_qt | 444.72 | 36.38 | 0.87 | SY | MOL000546 | Diosgenin | 414.69 | 80.88 | 0.81 | SY | MOL005461 | Doradexanthin | 584.96 | 38.16 | 0.54 | SY | MOL005463 | Methylcimicifugoside_qt | 556.81 | 31.69 | 0.24 | SY | MOL005465 | AIDS180907 | 394.45 | 45.33 | 0.77 | SY | MOL000953 | CLR | 386.73 | 37.87 | 0.68 | HQ | MOL000239 | Jaranol | 314.31 | 50.83 | 0.29 | HQ | MOL000296 | Hederagenin | 414.79 | 36.91 | 0.75 | HQ | 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 | 428.82 | 36.23 | 0.78 | HQ | MOL000354 | Isorhamnetin | 316.28 | 49.60 | 0.31 | HQ | MOL000371 | 3, 9-di-O-methylnissolin | 314.36 | 53.74 | 0.48 | HQ | MOL000374 | 5′-Hydroxyiso-muronulatol-2′, 5′-di-O-glucoside | 642.67 | 41.72 | 0.69 | HQ | MOL000378 | 7-O-methylisomucronulatol | 316.38 | 74.69 | 0.30 | HQ | MOL000379 | 9, 10-Dimethoxypterocarpan-3-O-β-D-glucoside | 462.49 | 36.74 | 0.92 | HQ | MOL000380 | (6aR, 11aR)-9, 10-Dimethoxy-6a, 11a-dihydro-6H-benzofurano [3, 2-c] chromen-3-ol | 300.33 | 64.26 | 0.42 | HQ | MOL000387 | Bifendate | 418.38 | 31.10 | 0.67 | HQ | MOL000392 | Formononetin | 268.28 | 69.67 | 0.21 | HQ | MOL000398 | Isoflavanone | 316.33 | 109.99 | 0.30 | HQ | MOL000417 | Calycosin | 284.28 | 47.75 | 0.24 | HQ | MOL000433 | FA | 441.45 | 68.96 | 0.71 | HQ | MOL000438 | (3R)-3-(2-hydroxy-3, 4-dimethoxyphenyl) chroman-7-ol | 302.35 | 67.67 | 0.26 | HQ | MOL000439 | Isomucronulatol-7, 2′-di-O-glucosiole | 626.67 | 49.28 | 0.62 | HQ | MOL000442 | 1, 7-Dihydroxy-3, 9-dimethoxy pterocarpene | 314.31 | 39.05 | 0.48 | MDP | MOL007369 | 4-O-methylpaeoniflorin_qt | 332.38 | 67.24 | 0.43 | MDP | MOL007374 | 5-[[5-(4-Methoxyphenyl)-2-furyl] methylene] barbituric acid | 312.30 | 43.44 | 0.30 | MDP | MOL007382 | Mudanpioside-h_qt 2 | 336.37 | 42.36 | 0.37 | MDP | MOL007384 | Paeonidanin_qt | 330.41 | 65.31 | 0.35 | CS | MOL001918 | Paeoniflorgenone | 318.35 | 87.59 | 0.37 | CS | MOL001921 | Lactiflorin | 462.49 | 49.12 | 0.80 | CS | MOL001924 | Paeoniflorin | 480.51 | 53.87 | 0.79 | CS | MOL002714 | Baicalein | 270.25 | 33.52 | 0.21 | CS | MOL002776 | Baicalin | 446.39 | 40.12 | 0.75 | CS | MOL004355 | Spinasterol | 412.77 | 42.98 | 0.76 | CS | MOL006990 | (1S, 2S, 4R)-trans-2-Hydroxy-1, 8-cineole-B-D-glucopyranoside | 332.44 | 30.25 | 0.27 | CS | MOL006992 | (2R, 3R)-4-methoxyl-distylin | 318.30 | 59.98 | 0.30 | CS | MOL006994 | 1-O-beta-d-glucopyranosyl-8-o-benzoylpaeonisuffrone_qt | 302.35 | 36.01 | 0.30 | CS | MOL006996 | 1-O-beta-d-glucopyranosylpaeonisuffrone_qt | 332.38 | 65.08 | 0.35 | CS | MOL006999 | Stigmast-7-en-3-ol | 414.79 | 37.42 | 0.75 | CS | MOL007004 | Albiflorin | 480.51 | 30.25 | 0.77 | CS | MOL007005 | Albiflorin_qt | 318.35 | 48.70 | 0.33 | CS | MOL007008 | 4-Ethyl-paeoniflorin_qt | 332.38 | 56.87 | 0.44 | CS | MOL007012 | 4-O-methyl-paeoniflorin_qt | 332.38 | 56.70 | 0.43 | CS | MOL007014 | 8-Debenzoylpaeonidanin | 390.43 | 31.74 | 0.45 | CS | MOL007016 | Paeoniflorigenone | 318.35 | 65.33 | 0.37 | CS | MOL007018 | 9-Ethyl-neo-paeoniaflorin A_qt | 334.40 | 64.42 | 0.30 | CS | MOL007022 | EvofolinB | 318.35 | 64.74 | 0.22 | CS | MOL007025 | Isobenzoylpaeoniflorin | 584.62 | 31.14 | 0.54 | CS | MOL005043 | Campest-5-en-3beta-ol | 400.76 | 37.58 | 0.71 | HJT | MOL002823 | Herbacetin | 302.25 | 36.07 | 0.27 | HJT | MOL004020 | Gossypetin | 318.25 | 35.00 | 0.31 | DL | — | Leucinum | — | — | — | DL | — | GLY | — | — | — | DL | — | L-valin | — | — | — | DL | — | Palmitic acid | — | — | — | DL | — | EIC | — | — | — | DL | — | Adenine | — | — | — | DL | — | HX | — | — | — | DL | — | GUN | — | — | — | SDH/CS/MDP/SZY | MOL000359 | Sitosterol | 414.79 | 36.91 | 0.75 | SDH/CS/DG/ | | | | | | SY/SZY | MOL000449 | Stigmasterol | 412.77 | 43.83 | 0.76 | SZY/CS | MOL002883 | Ethyl oleate (NF) | 310.58 | 32.40 | 0.19 | SZY/DG/CS | MOL000358 | Beta-sitosterol | 414.79 | 36.91 | 0.75 | HQ/MDP | MOL000211 | Mairin | 456.78 | 55.38 | 0.78 | HQ/MDP/HJT | MOL000422 | Kaempferol | 286.25 | 41.88 | 0.24 | HQ/MDP/HJT | MOL000098 | Quercetin | 302.25 | 46.43 | 0.28 | MDP/CS | MOL001925 | paeoniflorin_qt | 318.35 | 68.18 | 0.40 | MDP/CS | MOL000492 | (+)-Catechin | 290.29 | 54.83 | 0.24 | MDP/CS | MOL007003 | Benzoyl paeoniflorin | 584.62 | 31.14 | 0.54 | CS/HJT | MOL001002 | Ellagic acid | 302.20 | 43.06 | 0.43 |
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