Phytochemical database

No Ligand ID Drug Group Generic Name Name of Plant MW Smile Edit
601 HB00601 Phytochemical butane-2,3-diol 2-O-beta -D-glucopyranosidecdx Glehnia littoralis 252.26 [C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)OC(C(C)O)C
602 HB00602 Phytochemical 2-methyl-3-buten-2-ol beta -D-glucopyranoside Glehnia littoralis 248.27 [C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)OC(C)(C)C=C
603 HB00603 Phytochemical isopropyl beta -D-glucopyranoside Glehnia littoralis 222.24 [C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)OC(C)C
604 HB00604 Phytochemical ethyl beta -D-glucopyranoside Glehnia littoralis 208.21 [C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)OCC
605 HB00605 Phytochemical isobutyl beta -D-Glucopyranoside Glehnia littoralis 236.26 [C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)OCC(C)C
606 HB00606 Phytochemical isopropyl beta -D-apiofranosyl-(1-6)-beta -Dglucopyranoside Glehnia littoralis 354.35 [C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)COC1OC[C@]([C@H]1O)(O)CO)OC(C)C
607 HB00607 Phytochemical Ethyl-alpha-D-galactoside Acanthopanax senticosus (Rupr. et Maxim.) Harms, Acanthopanax senticosus (Rupr. et Maxim.) Harms 208.21 [C@@H]1([C@H](O[C@@H]([C@@H]([C@H]1O)O)CO)OCC)O
608 HB00608 Phytochemical Pyranicin Goniothalamus giganteus 596.88 [C@@H]1([C@H](O[C@H](CC1)[C@@H](O)CCCC[C@@H](CCCCC[C@@H](O)CC1=C[C@@H](OC1=O)C)O)CCCCCCCCCCCC)O
609 HB00609 Phytochemical Pyragonicin Goniothalamus giganteus 596.88 [C@@H]1([C@H](O[C@H](CC1)[C@H](CC[C@@H](CCCCC[C@@H](CC1=C[C@@H](OC1=O)C)O)O)O)CCCCCCCCCCCCCC)O
610 HB00610 Phytochemical 1,6-Bis-deacetyl evonine Euonymus europaeua 663.62 [C@@H]1([C@H]2[C@@]([C@]34[C@@]([C@H]1O)([C@@H](C(=O)[C@H]([C@H]3O)[C@@H](O4)COC(=O)c1c([C@H]([C@H](C(=O)O2)C)C)nccc1)OC(=O)C)COC(=O)C)(O)C)OC(=O)C
611 HB00611 Phytochemical monotropein Morinda officinalis, Pyrola japonica Klenze ex Alef. 390.34 [C@@H]1([C@H]2[C@@H](C(=CO1)C(=O)O)C=C[C@@]2(CO)O)OC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
612 HB00612 Phytochemical oldenlandoside,iii Oldenlandia diffusa 610.56 [C@@H]1([C@H]2[C@@H](C(=CO1)C(=O)O)CC=C2COC(=O)c1ccccc1)OC1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)CO1
613 HB00613 Phytochemical e-6-o-p-coumaroyl,scandoside,methyl,ester Oldenlandia diffusa 550.51 [C@@H]1([C@H]2[C@@H](C(=CO1)C(=O)OC)[C@@H](C=C2CO)OC(=O)/C=C/c1ccc(cc1)O)OC1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO
614 HB00614 Phytochemical 10-o-benzoylscandoside,methyl,ester Oldenlandia diffusa 508.47 [C@@H]1([C@H]2[C@@H](C(=CO1)C(=O)OC)[C@@H](C=C2COC(=O)c1ccccc1)O)OC1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO
615 HB00615 Phytochemical e-6-o-p-coumaroyl,scandoside,methyl,ester-10-methyl,ether Oldenlandia diffusa 564.54 [C@@H]1([C@H]2[C@@H](C(=CO1)C(=O)OC)[C@@H](C=C2COC)OC(=O)/C=C/c1ccc(cc1)O)OC1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO
616 HB00616 Phytochemical (25S)-26-O-?-D-Glucopyranosyl-22-hydroxy-5?-furostane-3?,26-diol 3-O-?-D-glucopyranosyl-(1?2)-O-?-D-galactopyranoside Anemarrhena asphodeloides 921.07 [C@@H]1([C@H]2[C@@H](O[C@@]1(CC[C@@H](CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)O)C[C@@H]1[C@@]2(CC[C@H]2[C@H]1CC[C@H]1[C@@]2(CC[C@@H](C1)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)CO)C)C)C
617 HB00617 Phytochemical Collettiside III Dioscorea collettii Hook. f., Phragmites communis Trin 869.04 [C@@H]1([C@H]2[C@@H](O[C@]31OC[C@H](CC3)C)C[C@@H]1[C@@]2(CC[C@H]2[C@H]1CC=C1[C@@]2(CC[C@@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)CO)C)C)C
618 HB00618 Phytochemical 3?-[(O-?-D-Glucopyranosyl-(1?3)-O-?-D-glucopyranosyl-(1?2)-O-[?-D-xylopyranosyl-(1?3)]-O-?-D-glucopyranosyl-(1?4)-?-D-galacto-pyranosyl)-oxy]-2?,16?-dihydroxypregn-5-ene-20-carboxylic acid ?-lac-tone Cestrum nocturnum [C@@H]1([C@H]2[C@@H](OC1=O)C[C@@H]1[C@@]2(CC[C@H]2[C@H]1CC=C1[C@@]2(C[C@H]([C@@H](C1)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)CO)O[C@@H]1O
619 HB00619 Phytochemical paederosidic,acid Paederia scandens 464.44 [C@@H]1([C@H]2[C@H](C(=CO1)C(=O)O)[C@H](C=C2COC(=O)SC)O)OC1O[C@H]([C@H]([C@H]([C@H]1O)O)O)CO
620 HB00620 Phytochemical orcinol-1-O-beta-D-apiofuranosyl-(1-6)-beta-D-glucopyranoside Curculigo orchioides 418.39 [C@@H]1(C([C@@H](C(OC1COC1[C@@H]([C@](CO1)(CO)O)O)Oc1cc(cc(c1)O)C)O)O)O
621 HB00621 Phytochemical Aralia-saponin VI Aralia elata (Miq.) Seem. [C@@H]1(C([C@@H](O[C@@H]([C@H]1O)CO)OC1C(C2C(CC1)(C1C(CC2)(C2(C(=CC1)C1C(C(C2)O)(CCC(C1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)CO)C)C)C)(C)C)OC1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O
622 HB00622 Phytochemical glucosinolates Brassica juncea, Isatis indigotica 463.45 [C@@H]1(C([C@H](C(OC1CO)S/C(=N\OS(=O)(=O)[OH+212])/Cc1c2c(cccc2O)[nH]c1)O)O)O
623 HB00623 Phytochemical Isocentdarol Cedrus deodara 238.37 [C@@H]1(C(=C[C@H]2[C@@H](C1)[C@@](CCCC2(C)C)(C)O)C)O
624 HB00624 Phytochemical 3?,7?-Dihydroxy amorph-4-ene 3-acetate Artemisia annua L. 280.40 [C@@H]1(C(=C[C@H]2[C@@H](C1)[C@@H](CC[C@@]2(O)C(C)C)C)C)OC(=O)C
625 HB00625 Phytochemical trans-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-ol Zanthoxylum schinifolium, Ligusticum chuanxiong, Cyperus rotundus L, Citrus reticulata 152.23 [C@@H]1(C(=CC[C@@H](C1)C(=C)C)C)O
626 HB00626 Phytochemical cis-2-methyl-5-(1-methylethenyl)-,2-cyclohexen-1-ol Zanthoxylum schinifolium, Ligusticum chuanxiong, Citrus reticulata, Cyperus rotundus L 152.23 [C@@H]1(C(=CC[C@H](C1)C(=C)C)C)O
627 HB00627 Phytochemical Taxol B Taxus baccata, Taxus wallichiana Zucc., Taxus yunnanensis Cheng et L. K. Fu 831.90 [C@@H]1(C(=O)[C@]2([C@H]([C@@H]([C@]3(C(C1=C([C@H](C3)OC(=O)[C@@H](C(c1ccccc1)NC(=O)/C(=C/C)/C)O)C)(C)C)O)OC(=O)c1ccccc1)[C@]1([C@@H](C[C@@H]2O)OC1)OC(=O)C)C)OC(=O)C
628 HB00628 Phytochemical Taxol D Taxus x media Rehd., Taxus baccata 819.89 [C@@H]1(C(=O)[C@]2([C@H]([C@@H]([C@]3(C(C1=C([C@H](C3)OC(=O)[C@@H](C(c1ccccc1)NC(=O)CCC)O)C)(C)C)O)OC(=O)c1ccccc1)[C@]1([C@@H](C[C@@H]2O)OC1)OC(=O)C)C)OC(=O)C
629 HB00629 Phytochemical (-)-Jasmonic acid Vicia faba L. 210.27 [C@@H]1(C(=O)CC[C@@H]1CC(=O)O)C/C=C\CC
630 HB00630 Phytochemical Cyclo-(Ala-Val) Psammosilene tunicoides W.C.Wu et C.Y.Wu, Pinellia pedatisecta Schott, Panax notoginseng 170.21 [C@@H]1(C(=O)N[C@H](C(=O)N1)C(C)C)C
631 HB00631 Phytochemical Cyclo-(Gly-Leu-Pro-Trp-Leu-Ile-Ala-Ala) Citrus medica var. sarcodactylis 822.01 [C@@H]1(C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)[C@H](CC)C)CC(C)C)Cc1c[nH]c3c1cccc3)CCC2)CC(C)C)C)C
632 HB00632 Phytochemical pseudostellarin C Pseudostellaria heterophylla 812.95 [C@@H]1(C(=O)NC(CC(C)C)C(=O)N2[C@@H](CCC2)C(=O)N[C@H](C(=O)N2[C@@H](CCC2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N1)CC(C)C)Cc1ccccc1)CO)C(C)O
633 HB00633 Phytochemical cis-4-Hydroxyproline Santalum album, Santalum album 131.13 [C@@H]1(C(=O)O)CC(CN1)O
634 HB00634 Phytochemical cis-linalool,oxide Coriandrum sativum L., Zanthoxylum schinifolium 156.22 [C@@H]1(C(OC(CC1)C=C)(C)C)O
635 HB00635 Phytochemical pteryxin Nardostachys jatamansi, Peucedanum praeruptorum 386.40 [C@@H]1(C(Oc2c([C@H]1OC(=O)/C(=C\C)/C)c1c(cc2)ccc(=O)o1)(C)C)OC(=O)C
636 HB00636 Phytochemical Neocembrene Picea obovata 274.48 [C@@H]1(C/C=C(/CC/C=C(/CC/C=C(/CC1)\C)\C)\C)C(C)C
637 HB00637 Phytochemical Kirenol Clerodendron trichotomum, Siegesbeckia orientalis, Siegesbeckia pubescens, Siegesbeckia orientalis L. 352.51 [C@@H]1(C[C@@]([C@@H]2[C@@](C1)([C@H]1C(=C[C@@](CC1)(C)[C@@H](O)CCO)CC2)C)(C)CO)O
638 HB00638 Phytochemical ent-2alpha,15,16,19-tetrahydroxypimar-8(14)-ene Siegesbeckia orientalis 338.48 [C@@H]1(C[C@@]([C@@H]2[C@@](C1)([C@H]1C(=C[C@](CC1)(C(CO)O)C)CC2)C)(C)CO)O
639 HB00639 Phytochemical 1?,2?-Diacetoxy-8?-isobutanoyloxy-9?-benzoyloxy-13-(?-methyl)butanoyloxy-4?,6?-dihydroxy-?-dihydroagarofuran Celastrus angulatus Maxim. 676.75 [C@@H]1(C[C@@]([C@]23[C@@]([C@H]1OC(=O)C)([C@@H]([C@H]([C@H]([C@H]2O)C(O3)(C)C)OC(=O)C(C)C)OC(=O)c1ccccc1)COC(=O)CC(C)C)(O)C)OC(=O)C
640 HB00640 Phytochemical 1?,2?-Diacetoxy-8?-(?-furancarbonyloxy)-9?-benzoyloxy-13-iso-butanoyloxy-4?,6?-dihydroxy-?-dihydroagarofuran Celastrus angulatus Maxim. 686.70 [C@@H]1(C[C@@]([C@]23[C@@]([C@H]1OC(=O)C)([C@@H]([C@H]([C@H]([C@H]2O)C(O3)(C)C)OC(=O)c1occc1)OC(=O)c1ccccc1)COC(=O)C(C)C)(O)C)OC(=O)C
641 HB00641 Phytochemical eudesm-ll-en-2,4alpha-diol Nardostachys chinensis 238.37 [C@@H]1(C[C@@]([C@H]2[C@](C1)(CC[C@H](C2)C(=C)C)C)(C)O)O
642 HB00642 Phytochemical Taxamedin A Taxus x media Rehd. 665.75 [C@@H]1(C[C@@]2(C(=C1C)[C@H]([C@@H]([C@]1([C@H]([C@@H]2OC(=O)C)C(=C)[C@H](C[CH]1)OC(=O)/C=C\c1ccccc1)C)OC(=O)C)OC(=O)C)C(C)(O)C)OC(=O)C
643 HB00643 Phytochemical N-Acetyl-N-debenzoyltaxol Taxus canadensis Marsh. 791.84 [C@@H]1(C[C@@]2(C(C(=C1C)[C@H](C(=O)[C@]1([C@H]([C@@H]2OC(=O)c2ccccc2)[C@]2([C@@H](C[C@@H]1O)OC2)OC(=O)C)C)OC(=O)C)(C)C)O)OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)C)O
644 HB00644 Phytochemical Bisacurone Curcuma longa, Curcuma zedoaria (Berg.) Rose. 252.35 [C@@H]1(C[C@@H]([C@@](C=C1)(C)O)O)[C@H](CC(=O)C=C(C)C)C
645 HB00645 Phytochemical Sarmentose Metaplexis japonica (Thunb.) Mak., Metaplexis japonica (Thunb.) Mak., Adonis amurensis Reg. et Radde 162.18 [C@@H]1(C[C@@H](O[C@@H]([C@@H]1O)C)O)CO
646 HB00646 Phytochemical Ludovicin A Artemisia mexicana var. angustifolia, Artemisia mexicana var. angustifolia, Artemisia ludoviciana 264.32 [C@@H]1(C[C@@H]2[C@]([C@H]3[C@]1(CC[C@@H]1[C@@H]3OC(=O)C1=C)C)(O2)C)O
647 HB00647 Phytochemical 2?17-Dihydroxy-9?,10?,13?-triacetoxy-5?-(3'-N,N-dimethylamino-3'-phenyl)-propionyloxytaxa-4(20),11-diene Taxus canadensis Marsh. 669.80 [C@@H]1(C[C@@H]2[C@](C(=C1C)[C@H]([C@@H]([C@]1([C@H]([C@H]2O)C(=C)[C@@H](CC1)OC(=O)C[C@@H](c1ccccc1)N(C)C)C)OC(=O)C)OC(=O)C)(C)CO)OC(=O)C
648 HB00648 Phytochemical (3R,4R,6S)-3,4-Epoxybisabola-7(14),10-dien-2-one Tussilago farfara 234.33 [C@@H]1(C[C@@H]2[C@](C(=O)C1)(O2)C)C(=C)CCC=C(C)C
649 HB00649 Phytochemical vogeloside Lonicera japonica 404.37 [C@@H]1(C[C@@H]2C(=CO[C@H]([C@@H]2C=C)OOC2C(C(C(C(CO)O2)O)O)O)C(=O)O1)OC
650 HB00650 Phytochemical 9?,10?-Diacetoxy-13?-hydroxy-5?-O-(?-D-glucopyranosyl)taxa-4(20),11-diene Taxus canadensis Marsh. 582.68 [C@@H]1(C[C@@H]2C(C(=C1C)[C@H]([C@@H]([C@]1([C@@H](C(=C)[C@H](CC1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C2)C)OC(=O)C)OC(=O)C)(C)C)O
651 HB00651 Phytochemical 10?-Hydroxy-2?,9?,13?-triacetoxy-5?-(3'-(dimethylamino)-3'-phenyl)butanoatetaxa-4(20),11-diene Taxus canadensis Marsh. 653.80 [C@@H]1(C[C@@H]2C(C(=C1C)[C@H]([C@@H]([C@]1([C@@H](C(=C)[C@H](CC1)OC(=O)C[C@H](c1ccccc1)N(C)C)[C@@H]2OC(=O)C)C)OC(=O)C)O)(C)C)OC(=O)C
652 HB00652 Phytochemical 9?-Hydroxy-2?,10?,13?-triacetoxytaxa-4(20),5(6),11(12)-triene Taxus canadensis Marsh. 460.56 [C@@H]1(C[C@@H]2C(C(=C1C)[C@H]([C@@H]([C@]1([C@@H](C(=C)C=CC1)[C@@H]2OC(=O)C)C)O)OC(=O)C)(C)C)OC(=O)C
653 HB00653 Phytochemical 9?-Hydroxy-2?,10?,13?-triacetoxy-5?-(3'-N,N-dimethylamino-3'-phenyl)-propionyloxytaxa-4(20),11-diene Taxus canadensis Marsh. 653.80 [C@@H]1(C[C@@H]2C(C(=C1C)[C@H]([C@@H]([C@]1([C@H]([C@@H]2OC(=O)C)C(=C)[C@H](CC1)OC(=O)C[C@H](c1ccccc1)N(C)C)C)O)OC(=O)C)(C)C)OC(=O)C
654 HB00654 Phytochemical 9?,10?-Diacetoxy-5?-cinnamoyloxytaxa-4(20),11-dien-13?-ol Taxus yunnanensis Cheng et L. K. Fu 550.68 [C@@H]1(C[C@@H]2C(C(=C1C)[C@H]([C@@H]([C@]1([C@H](C2)C(=C)[C@H](CC1)OC(=O)/C=C/c1ccccc1)C)OC(=O)C)OC(=O)C)(C)C)O
655 HB00655 Phytochemical 15-Acetoxy-2?,9?-di-(?-furancarbonyloxy)-4?,6?-dihydroxy-1?-(2-methylbutanoyloxy)-dihydro-?-agarofuran Euonymus europaeua 632.65 [C@@H]1(C[C@]([C@]23[C@@]([C@H]1OC(=O)[C@H](C)CC)([C@@H](C[C@H]([C@H]2O)C(O3)(C)C)OC(=O)c1ccoc1)COC(=O)C)(C)O)OC(=O)c1ccoc1
656 HB00656 Phytochemical wulingzhic,acid,a Siegesbeckia pubescens, Trogopterus xanthipes 352.47 [C@@H]1(C[C@]([C@H]2[C@](C1)([C@@H]1C(=C[C@@](CC1)(C)[C@H](CO)O)CC2)C)(C(=O)O)C)O
657 HB00657 Phytochemical wulingzhic,acid,b Trogopterus xanthipes 334.45 [C@@H]1(C[C@]([C@H]2[C@](C1)([C@@H]1C(=CC2)C[C@@]([C@@H](C1)O)(C)C=C)C)(C(=O)O)C)O
658 HB00658 Phytochemical Homalomentetraol Homalomena occulta 272.38 [C@@H]1(C[C@](C2[C@]([C@@H]1O)(CC[C@@H]2CC(O)(C)C)C)(C)O)O
659 HB00659 Phytochemical Niveusin C Helianthus annuus L. 378.42 [C@@H]1(C[C@]2(O[C@]1(C)C[C@H]([C@@H]1[C@@H](C=C2C)OC(=O)C1=C)OC(=O)/C(=C/C)/C)O)O
660 HB00660 Phytochemical Lubimin Solanum melongena L., Solanum tuberosum, Solanum tuberosum 236.35 [C@@H]1(C[C@H]([C@@]2([C@H](C1)C=O)C[C@@H](CC2)C(=C)C)C)O
661 HB00661 Phytochemical Diosbulbin C Dioscorea bulbifera L 362.37 [C@@H]1(C[C@H]([C@@H]2C(C1)[C@]1(C3(CC2OC3=O)O[C@H](C1)c1cocc1)C)C(=O)O)O
662 HB00662 Phytochemical Diosbulbin A Dioscorea bulbifera L 376.40 [C@@H]1(C[C@H]([C@@H]2C(C1)[C@]1(C3(CC2OC3=O)OC(C1)c1cocc1)C)C(=O)OC)O
663 HB00663 Phytochemical Ailantinol F Allanthus altissima (Mill.) Swingle 362.42 [C@@H]1(C[C@H]([C@H]2[C@](C1=O)([C@@H]1[C@]3([C@@H](C2)OC(=O)C[C@H]3C(=C(C1=O)O)C)C)C)C)O
664 HB00664 Phytochemical trans-carveol Zanthoxylum schinifolium, Ligusticum chuanxiong, Artemisia argyi, Citrus reticulata, Cyperus rotundus L, Artemisia annua L. 152.23 [C@@H]1(C[C@H](C(=C)C)CC=C1C)O
665 HB00665 Phytochemical Bornyl acetate Achillea millefolium L., Rosmarinus officinalis L. 196.29 [C@@H]1(C[C@H]2CC[C@@]1(C2(C)C)C)OC(=O)C
666 HB00666 Phytochemical Cernuine Lycopodium cernuum L. 262.39 [C@@H]1(C[C@H]2N3[C@H](C1)C[C@H]1N([C@H]3CCC2)C(=O)CCC1)C
667 HB00667 Phytochemical 2?-Hydroxy-3,13-clerodadien-15-oic acid methyl ester Solidago altissima 334.49 [C@@H]1(C=C([C@]2([C@H](C1)[C@]([C@@H](CC2)C)(CC/C(=C/C(=O)OC)/C)C)C)C)O
668 HB00668 Phytochemical bruceine,e Brucea javanica 426.46 [C@@H]1(C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@@]3(O)[C@]([C@H]([C@@H]1O)O)(CC)OC4)O)C)C)O
669 HB00669 Phytochemical bruceine,f Brucea javanica 428.43 [C@@H]1(C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@@]3(O)[C@]([C@H]([C@@H]1O)O)(CO)OC4)O)C)C)O
670 HB00670 Phytochemical Bruceine E Brucea javanica 412.43 [C@@H]1(C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@]3([C@]([C@H]([C@@H]1O)O)(C)OC4)O)O)C)C)O
671 HB00671 Phytochemical Bruceine E 2-?-D-glucopyranoside Brucea javanica 572.60 [C@@H]1(C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@]3([C@]([C@H]([C@@H]1O)O)(C)OC4)O)O)C)C)O[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
672 HB00672 Phytochemical Bruceine F Brucea javanica 428.43 [C@@H]1(C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@]3([C@]([C@H]([C@@H]1O)O)(CO)OC4)O)O)C)C)O
673 HB00673 Phytochemical javanicolide,d Brucea javanica 566.59 [C@@H]1(C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@H]3[C@]([C@H]([C@@H]1O)O)(C(=O)OC)OC4)OC(=O)/C=C(/C(C)(C)O)\C)C)C)O
674 HB00674 Phytochemical Javanicolide D Brucea javanica 566.59 [C@@H]1(C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@H]3[C@]([C@H]([C@@H]1O)O)(C(=O)OC)OC4)OC(=O)/C=C(\C)/C(C)(C)O)C)C)O
675 HB00675 Phytochemical yadanzioside,e Brucea javanica 684.68 [C@@H]1(C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@H]3[C@]([C@H]([C@@H]1O)O)(C(=O)OC)OC4)OC(=O)C=C(C)C)C)C)OC1C(C(C(C(O1)CO)O)O)O
676 HB00676 Phytochemical yadanzioside,d Brucea javanica 658.65 [C@@H]1(C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@H]3[C@]([C@H]([C@@H]1O)O)(C(=O)OC)OC4)OC(=O)CC)C)C)OC1C(C(C(C(O1)CO)O)O)O
677 HB00677 Phytochemical yadanzioside,h Brucea javanica 700.73 [C@@H]1(C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@H]3[C@]([C@H]([C@@H]1O)O)(C(=O)OC)OC4)OC(=O)CCC(C)C)C)C)OC1C(C(C(C(O1)CO)O)O)O
678 HB00678 Phytochemical 3,4-Dihydro-excelsin Allanthus excelsa 478.58 [C@@H]1(C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@H]3[C@H]([C@H]([C@@]1(O)OC4)O)C)OC(=O)[C@@H](C)CC)C)C)C
679 HB00679 Phytochemical Annonin VI Annona squamosa L. 384.46 [C@@H]1(C=C(C(=O)O1)CC(O)C[C@H]([C@@H]1O[C@H](CC1)[C@@H]1O[C@H](CC1)[C@H](CC)O)O)C
680 HB00680 Phytochemical Yadanzioside E Brucea javanica 684.68 [C@@H]1(C=C(C2[C@]([C@@H]1O)(C1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@H]3[C@@](C([C@@H]1O)O)(OC4)C(=O)OC)OC(=O)C=C(C)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)CO
681 HB00681 Phytochemical Yadanzioside D Brucea javanica 644.62 [C@@H]1(C=C(C2[C@]([C@@H]1O)(C1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@H]3[C@@](C(C1O)O)(OC4)C(=O)OC)OC(=O)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)CO
682 HB00682 Phytochemical cis-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-ol Mosla chinensis, Ligusticum chuanxiong 154.25 [C@@H]1(C=C(CC[C@H]1C(C)C)C)O
683 HB00683 Phytochemical Taxacustin Taxus cuspidata Sieb. et Zucc., Taxus cuspidata Sieb. et Zucc., Taxus wallichiana Zucc. 554.58 [C@@H]1(C2[C@]([C@H]([C@@H](C3=C([C@H](C[C@@]13C(C)(O)C)O)C)O)OC(=O)C)([C@H]([C@@H]1[C@]2(CO1)OC(=O)C)OC(=O)C)C)OC(=O)C
684 HB00684 Phytochemical yadanzigan Brucea javanica 576.59 [C@@H]1(CC([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@@]3(O)[C@]([C@H]([C@@H]1O)O)(C)OC4)O)C)C)OC1C(C(C(C(O1)CO)O)O)O
685 HB00685 Phytochemical 2alpha-acetoxysugiol Salvia miltiorrhiza 358.47 [C@@H]1(CC([C@H]2[C@](C1)(c1c(C(=O)C2)cc(c(c1)O)C(C)C)C)(C)C)OC(=O)C
686 HB00686 Phytochemical Atractyloside C Atractylodes lancea (Thunb.) DC. 400.51 [C@@H]1(CC(=C)[C@H]2[C@](C1)(CC[C@H](C2)C(C)(C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)O
687 HB00687 Phytochemical Atractyloside D Atractylodes lancea (Thunb.) DC. 562.65 [C@@H]1(CC(=C)[C@H]2[C@](C1)(CC[C@H](C2)C(C)(C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
688 HB00688 Phytochemical Atractyloside E Atractylodes lancea (Thunb.) DC. 694.76 [C@@H]1(CC(=C)[C@H]2[C@](C1)(CC[C@H](C2)C(C)(C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1OC[C@@]([C@H]1O)(CO)O
689 HB00689 Phytochemical cyclopentanecarboxylic acid, 3-methylene-, 1,7,7-trimethylbicyclo[2 Artemisia annua 262.39 [C@@H]1(CC(=C)CC1)C(=O)O[C@H]1[C@@]2(CC[C@H](C1)C2(C)C)C
690 HB00690 Phytochemical Jasmololone Ophiopogon japonicus (L. f.) Ker-Gawl. 180.24 [C@@H]1(CC(=O)C(=C1C)C/C=C\CC)O
691 HB00691 Phytochemical naringenin Morus alba, Drynaria fortunei, Polygonum orientale, Coix lachryma-jobi, Citrus aurantium, Sophora flavescens 272.25 [C@@H]1(CC(=O)c2c(O)cc(O)cc2O1)c1ccc(O)cc1
692 HB00692 Phytochemical Isololiolide Undaria pinnatifida (Harv.) Sur. 196.24 [C@@H]1(CC(C2=CC(=O)O[C@]2(C1)C)(C)C)O
693 HB00693 Phytochemical sec-Hydroxyaeginetic acid Rehmannia glutinosa 284.35 [C@@H]1(CC[C@@]([C@](C1(C)C)(/C=C/C(=C/C(=O)O)/C)O)(C)O)O
694 HB00694 Phytochemical Lycoctonine Aconitum brachypodum Diels 467.60 [C@@H]1(CC[C@@]2([C@@H]3[C@@]41[C@H]1[C@H]5[C@@](C[C@@H]([C@H]([C@@H]5OC)C1)OC)(O)C([C@H]3OC)([C@@H]4N(C2)CC)O)CO)OC
695 HB00695 Phytochemical cycloeucalenol Lobelia chinensis 426.72 [C@@H]1(CC[C@@]23[C@H]([C@@H]1C)CC[C@@H]1[C@]2(CC[C@]2([C@]1(CC[C@@H]2[C@@H](CCC(=C)C(C)C)C)C)C)C3)O
696 HB00696 Phytochemical (20r,24r)-24,25-epoxy-3-beta-(beta-d-xylopyranosyloxy)-9,19-cyclolanost-7-ene-16,23-dione Cimicifuga dahurica 600.78 [C@@H]1(CC[C@@]23C(C1(C)C)CC=C1[C@]4(C)CC(=O)C([C@@H](CC(=O)C5C(C)(C)O5)C)[C@@]4(C)CCC21C3)OC1[C@H](O)[C@@H](O)[C@H](O)CO1
697 HB00697 Phytochemical Asimicin Annona muricata L. 622.92 [C@@H]1(CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCC[C@@H](O)CC1=C[C@@H](OC1=O)C)O)[C@@H](CCCCCCCCCC)O
698 HB00698 Phytochemical Psilostachyin Ambrosia psilostachya, Ambrosia artemisllfolia L. 280.32 [C@@H]1(CC[C@@H]2[C@H]([C@]([C@]31CCC(=O)O3)(C)O)OC(=O)C2=C)C
699 HB00699 Phytochemical 28-O-beta-D-glucopyranosyl-3beta, 7beta-dihydroxy-lup-20 (29)-en-28-oate Polygonum orientale 634.84 [C@@H]1(CC[C@]2([C@H](C1(C)C)C[C@@H]([C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)OC5[C@H](O)[C@@H](O)[C@H](O)[C@H](O5)CO)CC[C@@H](C(=C)C)[C@H]4[C@@H]3CC[C@H]21)O)C)O
700 HB00700 Phytochemical Agavegenin D Agave americana L. 436.67 [C@@H]1(CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@@H]([C@@H]2[C@H](C)[C@H](CC[C@@H](CO)C)O)O)C)C)O

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