Phytochemical database

No Ligand ID Drug Group Generic Name Name of Plant MW Smile Edit
101 HB00101 Phytochemical Dendrine Dendrobium nobile 335.44 [C@@]12([C@@H]3[C@@H]4[C@@H]([C@H]([C@H]1N([C@@H]([C@H]2CC3)CC(=O)OC)C)OC4=O)C(C)C)C
102 HB00102 Phytochemical Polypodine B Polypodium vulgare, Ajuga reptans, Rhaponticum carthamoides, Ajuga decumbens Thunb. 496.63 [C@@]12([C@](C(=O)C=C3[C@@H]1CC[C@]1([C@]3(CC[C@@H]1[C@]([C@@H](CCC(C)(C)O)O)(O)C)O)C)(C[C@H]([C@H](C2)O)O)O)C
103 HB00103 Phytochemical Kadsurin A Piper kadsura, Piper kadsura, Kadsura peltigera Rehd. et Wils. 372.41 [C@@]12([C@](C=C(C(=O)C1)CC=C)([C@@H]([C@H](O2)c1cc2c(cc1)OCO2)C)OC)OC
104 HB00104 Phytochemical Pinicolic acid A Poria cocos 468.71 [C@@]12([C@](C3=C(CC2)[C@@]2([C@@H](CC3)C(C(=O)CC2)(C)C)C)(CCC[C@@H]1[C@@H](C(=O)O)CCC=C(C)C)C)C
105 HB00105 Phytochemical 3'-Hydroxyrocaglate Aglaia odorata Lour. 508.52 [C@@]12([C@](c3c(O1)cc(cc3OC)OC)([C@@H]([C@@H]([C@H]2c1ccccc1)C(=O)OC)O)O)c1cc(c(cc1)OC)O
106 HB00106 Phytochemical Helveticoside Corchorus olitorius, Erysimum cheiranthoides L., Erysimum diffusum Ehrh., Strophanthus kombe, Corchorus capsularis L., Corchorus capsularis L. 534.64 [C@@]12([C@](CCC3C1CC[C@]1([C@@]3(CCC1C1=CC(=O)OC1)O)C)(C[C@H](CC2)OC1O[C@@H]([C@H]([C@H](C1)O)O)C)O)C=O
107 HB00107 Phytochemical Helveticosol Erysimum cheiranthoides L., Strophanthus kombe 536.65 [C@@]12([C@](CCC3C1CC[C@]1([C@@]3(CCC1C1=CC(=O)OC1)O)C)(C[C@H](CC2)OC1O[C@@H]([C@H]([C@H](C1)O)O)C)O)CO
108 HB00108 Phytochemical 2?-Deacetyl-5?-decinnamoyltaxagifine Taxus chinensis 524.56 [C@@]12([C@]3([C@H]([C@H]([C@H]4[C@]([C@H]([C@@H]1OC(=O)C)OC(=O)C)([C@H](C[C@@H](C4=C)O)OC(=O)C)C)O)CC(=O)[C@@]2(OC3)C)C)O
109 HB00109 Phytochemical Taxinine M Taxus brevifolia Nutt. 686.70 [C@@]12([C@]3([C@H]([C@H]([C@H]4[C@]([C@H]([C@@H]1OC(=O)C)OC(=O)C)([C@H](C[C@@H](C4=C)O)OC(=O)C)COC(=O)c1ccccc1)OC(=O)C)CC(=O)[C@]2(OC3)C)C)O
110 HB00110 Phytochemical Taxacin Taxus cuspidata Sieb. et Zucc. 816.84 [C@@]12([C@]3([C@H]([C@H]([C@H]4[C@]([C@H]([C@@H]1OC(=O)C)OC(=O)C)([C@H](C[C@@H](C4=C)OC(=O)/C=C\c1ccccc1)OC(=O)C)COC(=O)c1ccccc1)OC(=O)C)CC(=O)[C@]2(OC3)C)C)O
111 HB00111 Phytochemical 5alpha-Acetyl-5alpha-decinnamoyltaxagifine Taxus chinensis 608.63 [C@@]12([C@]3([C@H]([C@H]([C@H]4[C@]([C@H]([C@@H]1OC(=O)C)OC(=O)C)([C@H](C[C@@H](C4=C)OC(=O)C)OC(=O)C)C)OC(=O)C)CC(=O)[C@]2(OC3)C)C)O
112 HB00112 Phytochemical Ajugarin I Ajuga remota 434.52 [C@@]12([C@]3([C@H](CCC1)[C@@]([C@@H](C[C@@H]3OC(=O)C)C)(C)CCC1=CC(=O)OC1)COC(=O)C)CO2
113 HB00113 Phytochemical (+)-Crotepoxide Piper kadsura 404.41 [C@@]12([C@]3(O[C@]3([C@H]([C@@H]([C@]1(O2)C)OC(=O)C)OC(=O)C)COC(=O)c1ccccc1)C)C
114 HB00114 Phytochemical 4-Deacetyl-11(15?1)-abeo-baccatin VI Taxus x media Rehd. 672.72 [C@@]12([C@H]([C@@H](C3=C([C@H](C[C@]3([C@H]([C@@H]1[C@]1([C@@H](C[C@@H]2OC(=O)C)OC1)O)OC(=O)c1ccccc1)C(C)(O)C)OC(=O)C)C)OC(=O)C)OC(=O)C)C
115 HB00115 Phytochemical 2-Deacetyl-2?-benzoyl-5,13-diacetyltaxchinin A Taxus brevifolia Nutt. 760.82 [C@@]12([C@H]([C@@H](C3=C([C@H](C[C@]3([C@H]([C@@H]1C(=C)[C@H](C[C@@H]2OC(=O)C)OC(=O)C)OC(=O)c1ccccc1)C(C)(O)C)OC(=O)C)C)OC(=O)c1ccccc1)OC(=O)C)C
116 HB00116 Phytochemical 9-Deacetyl-9-benzoyl-10-debenzoylbrevifoliol Taxus brevifolia Nutt. 514.61 [C@@]12([C@H]([C@@H](C3=C([C@H](C[C@]3(C[C@@H]1C(=C)[C@H](C[C@@H]2OC(=O)C)O)C(O)(C)C)O)C)O)OC(=O)c1ccccc1)C
117 HB00117 Phytochemical 13-Deacetoxy-13,15-epoxy-11(15?1)-abeo-13-epi-baccatin VI Taxus x media Rehd. 654.70 [C@@]12([C@H]([C@@H](C3=C([C@H]4C[C@]3([C@H]([C@@H]1[C@]1([C@@H](C[C@@H]2OC(=O)C)OC1)OC(=O)C)OC(=O)c1ccccc1)C(C)(C)O4)C)OC(=O)C)OC(=O)C)C
118 HB00118 Phytochemical 6-O-?-D-Galactopyranosylharpagoside Scrophularia ningpoensis 656.63 [C@@]12([C@H]([C@@H](OC=C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@](C[C@H]2O[C@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)(OC(=O)/C=C/c1ccccc1)C)O
119 HB00119 Phytochemical 6'-O-Acetylharpagoside Scrophularia ningpoensis 536.53 [C@@]12([C@H]([C@@H](OC=C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC(=O)C)[C@](C[C@H]2O)(OC(=O)/C=C/c1ccccc1)C)O
120 HB00120 Phytochemical 8-O-Feruloylharpagide Scrophularia ningpoensis 540.51 [C@@]12([C@H]([C@@H](OC=C1)O[C@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@](C[C@H]2O)(OC(=O)/C=C\c1ccc(c(c1)OC)O)C)O
121 HB00121 Phytochemical melittoside Rehmannia glutinosa, Rehmannia glutinosa (Gaertn.) Libosch ex Mey. 524.47 [C@@]12([C@H]([C@@H](OC=C1)OC1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)C(=C[C@H]2O)CO)OC1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
122 HB00122 Phytochemical rehmannioside,d Rehmannia glutinosa 686.61 [C@@]12([C@H]([C@@H](OC=C1)OC1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)C(=C[C@H]2O)CO)OC1[C@@H]([C@H]([C@@H]([C@@H](O1)COC1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O)O
123 HB00123 Phytochemical 8-Acetylharpagide Ajuga reptans, Ajuga forrestii Diels, Ajuga decumbens Thunb. 406.38 [C@@]12([C@H]([C@@H](OC=C1)OC1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)CO)[C@@](C[C@H]2O)(OC(=O)C)C)O
124 HB00124 Phytochemical Danmelittoside Rehmannia glutinosa (Gaertn.) Libosch ex Mey. 362.33 [C@@]12([C@H]([C@@H](OC=C1)OC1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)CO)C(=C[C@H]2O)CO)O
125 HB00125 Phytochemical Theviridoside Lantana camara L, Thevetia nerllfolia 404.37 [C@@]12([C@H]([C@@H](OC=C1C(=O)OC)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)CO)C(=CC2)CO)O
126 HB00126 Phytochemical 11-Homohydroxyldidrovaltrate Valeriana jatamansii jones 454.51 [C@@]12([C@H]([C@@H](OC=C1COC(=O)C[C@@H](CC)C)OC(=O)CC(C)C)[C@]1([C@H](C2)OC(=O)C)CO1)O
127 HB00127 Phytochemical linderagalactone,a Lindera aggregate 298.76 [C@@]12([C@H]([C@H](C3=C(C(=O)O[C@]3(C1)O)C)O)C(=C[C@H]2CCl)C)C
128 HB00128 Phytochemical ginkgolide,c Ginkgo Biloba 440.40 [C@@]12([C@H]([C@H](C34[C@]51O[C@H]1C3([C@H](C(=O)O1)O)[C@@H]([C@H]([C@@H]4OC5=O)O)C(C)(C)C)O)OC(=O)[C@H]2C)O
129 HB00129 Phytochemical (-)-2?-Acetoxy-2',7-dideacetoxy-1-hydroxy-11(15?1)-abeoaustro-spicatine Taxus baccata 711.84 [C@@]12([C@H]([C@H]3[C@]([C@H]([C@@H](C1=C([C@H](C2)OC(=O)C)C)OC(=O)C)OC(=O)C)(CC[C@@H](C3=C)OC(=O)C[C@H](N(C)C)c1ccccc1)C)OC(=O)C)C(C)(C)O
130 HB00130 Phytochemical Lamiophlomiol C Lamiophlomis rotata (Benth.) Kudo 258.23 [C@@]12([C@H](C(OC=C1C(=O)OC)O)[C@@]1([C@H]([C@H]2O)O1)C)O
131 HB00131 Phytochemical 4S-Dihydrocurcumenone Curcuma zedoaria (Berg.) Rose. 290.44 [C@@]12([C@H](C[C@@H]3[C@H](C1)CC(=O)C(=C(C)C)C3)[C@H]2CC[C@H](C)O)C
132 HB00132 Phytochemical (4S)-dihydrocurcumenone Curcuma wenyujin 236.35 [C@@]12([C@H](CC(=C(C)C)C(=O)C1)[C@H]2CC[C@@H](O)C)C
133 HB00133 Phytochemical Curcumenone Curcuma zedoaria (Berg.) Rose. 234.33 [C@@]12([C@H](CC(=C(C)C)C(=O)C1)[C@H]2CCC(=O)C)C
134 HB00134 Phytochemical Pulsatilloside B Pulsatilla chinensis 796.98 [C@@]12([C@H](CC[C@@]3([C@@H]1CC[C@@H]1[C@]3(CC[C@@]3([C@@H]1[C@@H](CC3)C(=C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)[C@]([C@H](CC2)O)(C)CO)C
135 HB00135 Phytochemical Pulsatilloside C Pulsatilla chinensis 943.12 [C@@]12([C@H](CC[C@@]3([C@@H]1CC[C@@H]1[C@]3(CC[C@@]3([C@@H]1[C@@H](CC3)C(=C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[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)O)O)C)CO)C)C)[C@]([C@H](CC2)O)(C)CO)C
136 HB00136 Phytochemical Curcumenolactone C Curcuma zedoaria (Berg.) Rose. 264.32 [C@@]12([C@H](CC3=C(C(=O)O[C@@]3(C1)O)C)[C@H]2CCC(=O)C)C
137 HB00137 Phytochemical Curcumenolactone B Curcuma zedoaria (Berg.) Rose. 248.32 [C@@]12([C@H](CC3=C(C(=O)O[C@@H]3C1)C)[C@H]2CCC(=O)C)C
138 HB00138 Phytochemical Curcumenolactone A Curcuma zedoaria (Berg.) Rose. 248.32 [C@@]12([C@H](CC3=C(C(=O)O[C@H]3C1)C)[C@H]2CCC(=O)C)C
139 HB00139 Phytochemical 9-Acetoxyfukinanolide Petasites japonicus (Sieb. et Zucc.) F. Schmidt 292.37 [C@@]12([C@H](CCC[C@@H]1C)[C@H]([C@]1(C2)C(=O)OCC1=C)OC(=O)C)C
140 HB00140 Phytochemical Hallactone A Podocarpus hallii 346.37 [C@@]12([C@H]3[C@@H](Cc4c1cc(=O)oc4C(C)C)OC(=O)[C@]3([C@H]([C@H]1[C@@H]2O1)O)C)C
141 HB00141 Phytochemical 7,8-Dehydropenstemoside Lamiophlomis rotata (Benth.) Kudo 404.37 [C@@]12(C([C@@H](OC=C1C(=O)OC)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)CO)C(=C[C@H]2O)C)O
142 HB00142 Phytochemical Isoterchebin Cornus officinalis 954.66 [C@@]12(C([C@@H]3C(=CC1=O)C(=O)OCC1[C@H](OC(=O)c4c3c(c(c(c4)O)O)O2)C([C@H](C(O1)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)(O)O)O
143 HB00143 Phytochemical ?-Cyperone Cyperus rotundus L 218.34 [C@@]12(C(=C(C(=O)CC2)C)C[C@@H](CC1)C(=C)C)C
144 HB00144 Phytochemical Alantolactone Inula heIenium L., Inula grandis, Inula magnifica, Aucklandia lappa, Kerria japonica (L.) DC., Tagetes patula L. 232.32 [C@@]12(C(=C[C@H]3[C@@H](C1)OC(=O)C3=C)[C@H](CCC2)C)C
145 HB00145 Phytochemical 5?-Decinnamoyltaxagifine Taxus chinensis 566.59 [C@@]12(C(=O)C[C@H]3[C@H]([C@H]4[C@@]([C@H]([C@@H]([C@@]1([C@@]3(CO2)C)O)OC(=O)C)OC(=O)C)(C)[C@H](C[C@@H](C4=C)O)OC(=O)C)OC(=O)C)C
146 HB00146 Phytochemical 2,3-Epoxyplumbagin Diospyros maritima 204.18 [C@@]12(C(=O)c3c(C(=O)[C@H]1O2)c(ccc3)O)C
147 HB00147 Phytochemical 2alpha-Benzoyloxy-9alpha,10beta-diacetoxy-1beta,5alpha,13alpha-trihydroxy-4(20),11-taxadiene Taxus chinensis 556.64 [C@@]12(C(C(=C)C(CC1)O)C([C@]1(C(C(=C(C(C1)O)C)[C@H](C2OC(=O)C)OC(=O)C)(C)C)O)OC(=O)c1ccccc1)C
148 HB00148 Phytochemical 2alpha-Benzoyloxy-9alpha,10beta,13alpha-triacetoxy-1beta,5alpha-dihydroxy-4(20),11-taxadiene Taxus chinensis 596.71 [C@@]12(C(C(=C)C(CC1)O)C([C@]1(C(C(=C(C(C1)OC(=C)C)C)[C@H](C2OC(=O)C)OC(=O)C)(C)C)O)OC(=O)c1ccccc1)C
149 HB00149 Phytochemical 2alpha-Benzoyloxy-5alpha-cinnamoyloxy-1beta,13alpha-dihydroxy-4(20),11-taxadiene Taxus chinensis 686.79 [C@@]12(C(C(=C)C(CC1)OC(=O)/C=C\c1ccccc1)C([C@]1(C(C(=C(C(C1)O)C)[C@H](C2OC(=O)C)OC(=O)C)(C)C)O)OC(=O)c1ccccc1)C
150 HB00150 Phytochemical Comptonine Austrotaxus spicata 667.79 [C@@]12(C(C(=C)C(CC1OC(=O)C)OC(=O)[C@@H](C(N(C)C)c1ccccc1)O)CC1C(C(=C(C(=O)C1)C)[C@H](C2OC(=O)C)OC(=O)C)(C)C)C
151 HB00151 Phytochemical Gloeosteretriol Gloeostereum incarnatum S. lto et lmAl 282.42 [C@@]12(C(C3(C(C1)(CC([C@]3(C)CC)O)O)C)CC(C2)(C)C)O
152 HB00152 Phytochemical Coleonolic acid Salvia trijuga Diels 470.68 [C@@]12(C(CC[C@@]3(C1CC=C1[C@]3(CC[C@@]3([C@H]1[C@]([C@@H](CC3)C)(C)O)C(=O)O)C)C)C(C=C2CO)(C)C)C
153 HB00153 Phytochemical hydroxylathyrol Euphorbia lathyris L 350.45 [C@@]12(C[C@@H]([C@@H]([C@@H]1[C@@H](C(=C)[C@H](C[C@H]1[C@@H](C=C(C2=O)C)C1(C)C)O)O)O)C)O
154 HB00154 Phytochemical lathyrol,4 Euphorbia lathyris L 333.44 [C@@]12(C[C@@H]([C@@H]([C@@H]1[C@@H](C(=C)[CH]C[C@H]1[C@@H](C=C(C2=O)C)C1(C)C)O)O)C)O
155 HB00155 Phytochemical factor,l2 Euphorbia lathyris L 594.74 [C@@]12(C[C@@H]([C@@H]([C@@H]1[C@H](C(=C)[C@@H](C[C@H]1[C@@H](C=C(C2=O)C)C1(C)C)OCc1ccccc1)OOCC)OOC#CC#C)C)C(=O)OC.[H].[H]
156 HB00156 Phytochemical epoxylathyrol Euphorbia lathyris L 350.45 [C@@]12(C[C@@H]([C@@H]([C@@H]1[C@H](C1(CC[C@H]3[C@@H](C=C(C2=O)C)C3(C)C)CO1)O)O)C)O
157 HB00157 Phytochemical factor,l1 Euphorbia lathyris L 540.69 [C@@]12(C[C@@H]([C@@H]([C@@H]1[C@H](C1(CC[C@H]3[C@@H](C=C(C2=O)C)C3(C)C)CO1)OOCC)OC(=C)c1ccccc1)C)OOCC
158 HB00158 Phytochemical 8-debenzoylpaeonidanin Paeonia lactiflora, Paeonia lactiflora 390.38 [C@@]12(C[C@@H]3C(=O)C[C@@]1(OC(C23CO)OC)C)OC1C(C(C(C(O1)CO)O)O)O
159 HB00159 Phytochemical Thujopsadiene Thuja orientalis (L.) Endl. 202.34 [C@@]12(C3(C(C(=C)C=C1)C3)C(CCC2)(C)C)C
160 HB00160 Phytochemical Dendronobiloside B Dendrobium nobile 418.52 [C@@]12(CC[C@@H]([C@H]([C@H]1CC[C@@]2(CO)O)CO[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)C(C)C)C
161 HB00161 Phytochemical Dendronobiloside A Dendrobium nobile 564.66 [C@@]12(CC[C@@H]([C@H]([C@H]1CC[C@@H]2CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CO[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)C(C)C)C
162 HB00162 Phytochemical 7alpha-hydroxysitosterol Zea mays 430.71 [C@@]12(CC[C@@H](CC1=C[C@H](C1C2CC[C@]2(C1CC[C@@H]2[C@@H](CC[C@H](C(C)C)CC)C)C)O)O)C
163 HB00163 Phytochemical stigmastanone Zea mays, Oryza sativa 428.69 [C@@]12(CC[C@@H](CC1=CC(=O)C1C2CC[C@]2(C1CC[C@@H]2[C@@H](CC[C@H](C(C)C)CC)C)C)O)C
164 HB00164 Phytochemical 6-hydroxycroomine Stemona tuberosa 365.46 [C@@]12(CC[C@@H](CN3[C@H]1CC[C@@H]3[C@H]1OC(=O)[C@@H](C1)CC)O)C[C@@H](C(=O)O2)CC
165 HB00165 Phytochemical stigmast-4-en-3-one Pogostemon cablin, Zea mays 412.69 [C@@]12(CCC(=O)C=C1CCC1C2CC[C@]2(C1CC[C@@H]2[C@@H](CC[C@H](C(C)C)CC)C)C)C
166 HB00166 Phytochemical Marrubiin Marrubium vulgare 332.43 [C@@]12(CCC[C@]3([C@@H]1[C@@H](C[C@H]([C@@]2(CCc1cocc1)O)C)OC3=O)C)C
167 HB00167 Phytochemical 2-(Hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4,4]non-3-ene Matricaria chamomilla L. 200.23 [C@@]12(OCCC1)O/C(=C/C#CC#CC)/C=C2
168 HB00168 Phytochemical 1,5-epoxy-nor-ketoguaiene Aquilaria agallocha 234.33 [C@@]123[C@@](CC[C@@H](CCC1=O)C(=C)C)([C@H](CC2)C)O3
169 HB00169 Phytochemical Deacetylpseudolaric acid C2 Pseudolarix kaempferi 376.40 [C@@]123[C@@](CCC(=CC1)C(=O)O)([C@@H](CC2)[C@](OC3=O)(/C=C\C=C(\C(=O)O)/C)C)O
170 HB00170 Phytochemical Deacetylpseudolaric acid A Pseudolarix kaempferi 346.42 [C@@]123[C@@](CCC(=CC1)C)([C@@H](CC2)[C@](OC3=O)(/C=C/C=C(/C(=O)O)\C)C)O
171 HB00171 Phytochemical (1?,2?,5?,8?10?)-1,10-Epoxy-2-hydroxy-3,7(11)-guaiadien-12,8-olide Arctium lappa 262.30 [C@@]123[C@@H](CC4=C(C(=O)O[C@H]4C[C@@]1(C)O3)C)C(=C[C@H]2O)C
172 HB00172 Phytochemical Benzoylmesaconine Aconitum carmichaeli 589.67 [C@@]123[C@@H]4[C@@H]([C@H]([C@@]5([C@@H]6[C@H]1C[C@@]([C@H]6OC(=O)c1ccccc1)([C@H]([C@H]5O)OC)O)O)[C@H]3N(C[C@@]4([C@H](C[C@@H]2OC)O)COC)C)OC
173 HB00173 Phytochemical Pseudoaconitine Aconitum falconeri 689.79 [C@@]123[C@@H]4[C@@H]([C@H]([C@@]5([C@@H]6[C@H]1C[C@]([C@H]6OC(=O)c1cc(c(cc1)OC)OC)(O)[C@H](C5)OC)OC(=O)C)[C@H]3N(C[C@@]4([C@H](C[C@@H]2OC)O)COC)CC)OC
174 HB00174 Phytochemical Beiwutine Aconitum kusnezoffii Rchb. 633.68 [C@@]123[C@@H]4[C@H](C([C@@]5([C@@H]6[C@]1(C[C@@]([C@@H]6OC(=O)c1ccccc1)([C@H]([C@@H]5O)OC)O)O)OC(=O)C)[C@@H]3N(C[C@@]4([C@@H](C[C@@H]2OC)O)COC)C)O
175 HB00175 Phytochemical Falaconitine Aconitum falconeri 629.74 [C@@]123[C@@H]4[C@H](C(C5=C[C@@H]([C@@]6([C@@H]([C@H]5[C@H]1C6)OC(=O)c1ccc(c(c1)OC)OC)O)OC)[C@@H]3N(C[C@@]4([C@@H](C[C@@H]2OC)O)COC)CC)OC
176 HB00176 Phytochemical N-Acetylsepaconitine Aconitum leucostomum Worosch. 600.70 [C@@]123[C@@H]4C[C@H]([C@@]5([C@@]6([C@]1(C[C@@H]([C@@H]6OC)[C@H](C5)OC)O)O)O)[C@H]3N(C[C@@]4(CC[C@H]2OC)OC(=O)c1ccccc1NC(=O)C)CC
177 HB00177 Phytochemical Isotalatizidine Aconitum carmichaeli, Aconitum carmichaeli, Taxus cuspidata Sieb. et Zucc., Aconitum talassicum 407.54 [C@@]123[C@@H]4C[C@H]([C@@]5([C@@H]6[C@H]1C[C@@H]([C@@H]6O)[C@H](C5)OC)O)[C@H]3N(CC)C[C@@]4(CC[C@@H]2O)COC
178 HB00178 Phytochemical 4,4-dimethyl-tetracyclo[6 Houttuynia cordata 220.35 [C@@]123[C@@H]4CC([C@@H]4CC[C@@]1([C@@H](CC2)O)CC3)(C)C
179 HB00179 Phytochemical Kadsulactone A Kadsura peltigera Rehd. et Wils. 482.65 [C@@]123[C@H]([C@@H](C[C@@H]4[C@]1(CC[C@]1([C@]4(CC[C@@H]1[C@@H]([C@H]1OC(=O)C(=CC1)C)C)C)C)C2)O)C(OC(=O)C=C3)(C)C
180 HB00180 Phytochemical 6-Deoxy-6?-acetoxyatalantin acetate Atalantia buxifolia (Poir.) Oliv. 598.64 [C@@]123[C@H]([C@H]([C@@H]([C@@]4([C@@H]1CC[C@@]1([C@@]54[C@@H](C(=O)O[C@H]1c1cocc1)O5)C)C)OC(=O)C)OC(=O)C)C(O[C@]3(C2)/C=C\C(=O)OC)(C)C
181 HB00181 Phytochemical beta-cedrene Angelica sinensis, Platycladus orientalis 204.35 [C@@]123[C@H](C([C@H](C1)C(=C)CC2)(C)C)CC[C@H]3C
182 HB00182 Phytochemical Kadsulactone Kadsura peltigera Rehd. et Wils. 452.67 [C@@]123[C@H](CC[C@@H]4[C@]1(CC[C@]1([C@]4(CC[C@@H]1[C@@H]([C@@H]1OC(=O)C(=CC1)C)C)C)C)C2)C(C(=O)CC3)(C)C
183 HB00183 Phytochemical Benzoylaconine Aconitum pendulum, Aconitum kusnezoffii Rchb. 603.70 [C@@]123[C@H]4[C@H]([C@H]([C@]5([C@H]6[C@H]1C[C@]([C@H]6OC(=O)c1ccccc1)([C@H]([C@@H]5O)OC)O)O)[C@H]3N(C[C@@]4([C@@H](C[C@H]2OC)O)COC)CC)OC
184 HB00184 Phytochemical 14-Acetylgenicunine B Aconitum variegatum 449.58 [C@@]123[C@H]4C[C@H]([C@@]5([C@@H]6[C@]1(C[C@@H]([C@@H]6OC(=O)C)[C@H](C5)OC)O)O)[C@H]3N(C[C@@]4(CC[C@@H]2OC)C)CC
185 HB00185 Phytochemical 2,10-Diacetyl-5-cinnamoyl-7?-hydroxy phototaxicin II Taxus canadensis Marsh. 580.67 [C@@]123C([C@H]([C@H]([C@@]41[C@]([C@H]([C@@H]2OC(=O)C)O)([C@H](C[C@@H](C4=C)OC(=O)/C=C/c1ccccc1)O)C)OC(=O)C)CC(=O)[C@H]3C)(C)C
186 HB00186 Phytochemical Dantaxusin C Taxus yunnanensis Cheng et L. K. Fu 680.74 [C@@]123C([C@H]([C@H]([C@H]4[C@]([C@H]([C@@H]1OC(=O)C)OC(=O)C)([C@H](C[C@@H](C4=C)OC(=O)/C=C/c1ccccc1)OC(=O)C)C)OC(=O)C)CC(=O)[C@]3(O2)C)(C)C
187 HB00187 Phytochemical 10,15-Epoxy-11(15->1)-abeo-10-deacelybaccatin III Taxus wallichiana Zucc. 526.58 [C@@]123C(=C([C@H](C1)O)C)[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)OC3(C)C
188 HB00188 Phytochemical Hernandine B Stephania hernandifolia (Willd.) Walp. 363.41 [C@@]123C[C@@H]([C@@H]([C@]4([C@@]1(C[C@@H](c1c2c(c(cc1)OC)O)O4)N(CC3)C)O)OC)O
189 HB00189 Phytochemical Hernandine A Stephania hernandifolia (Willd.) Walp. 363.41 [C@@]123C[C@@H]([C@@H]([C@]4([C@@]1(C[C@@H](c1c2c(c(cc1)OC)O)O4)N(CC3)C)OC)O)O
190 HB00190 Phytochemical Hernandoline Stephania hernandifolia (Willd.) Walp., Stephania sasakll 359.42 [C@@]123CC(=O)C(=C([C@@]1(CCc1c2c(c(cc1)OC)O)N(CC3)C)OC)OC
191 HB00191 Phytochemical 11(S),16(R)-dihydroxy-octadeca-9Z,17-dien-12,14-diyn-1-yl acetate Angelica sinensis 332.43 [C@@H](/C=C\CCCCCCCCOC(=O)C)(O)C#CC#C[C@@H](C=C)O
192 HB00192 Phytochemical meso-Erythritol Stiff silkworm (Bombyx mori infected with Beauveria bassiana), Glehnia littoralis 122.12 [C@@H]([C@H](CO)O)(O)CO
193 HB00193 Phytochemical Homomethionin Armoracia lapathifolia 163.24 [C@@H](C(=O)O)(CCCSC)N
194 HB00194 Phytochemical S-Propyl-L-cystein Allium sativum 163.24 [C@@H](C(=O)O)(CSCCC)N
195 HB00195 Phytochemical Amphibine A Ziziphus amphibia 573.73 [C@@H](Cc1c[nH]c2c1cccc2)(N(C)C)C(=O)N[C@H]1[C@H](Oc2ccc(cc2)/C=C\NC(=O)[C@@H](NC1=O)[C@H](CC)C)C(C)C
196 HB00196 Phytochemical cis-Corossolone Annona muricata L. 578.86 [C@@H](CCCCCCCCCCCC)([C@@H]1O[C@H]([C@H](CCCCC(=O)CCCCCCCC2=C[C@@H](OC2=O)C)O)CC1)O
197 HB00197 Phytochemical Gigantriocin Goniothalamus giganteus, Goniothalamus leiocarpus 580.88 [C@@H](CCCCCCCCCCCCCC)([C@H](CC[C@H](O)[C@@H]1O[C@H](CC1)CCCCCCCC1=C[C@@H](OC1=O)C)O)O
198 HB00198 Phytochemical 1-Deoxy-D-glucitol Anethum graveolens L. 166.17 [C@@H](O)([C@@H](O)[C@H](O)[C@H](O)CO)C
199 HB00199 Phytochemical 2-Hydroxybut-3-enyl glucosinolate Brassica juncea (L.) Czern. et Coss. 373.33 [C@@H](O)(C/C(=N/OS(=O)(=O)O)/O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C=C
200 HB00200 Phytochemical Nigachigoside F1 Rubus parviforlius l., Rubus alceaefolius Poir 666.84 [C@@H]1([C@@]([C@@H]2[C@](CC1)(CC[C@@]1(C2=CCC2[C@]1(CCC1[C@@]2(C[C@H]([C@H]([C@@]1(C)CO)O)O)C)C)C)C(=O)OC1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)CO)(C)O)C

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