Phytochemical database

No Ligand ID Drug Group Generic Name Name of Plant MW Smile Edit
13801 HB13801 Phytochemical L-Homoarginine Lathyrus sativus 188.23 NC(=N)NCCCC[C@@H](C(=O)O)N
13802 HB13802 Phytochemical Argutine B Incarvillea arguta Royle 176.22 NC(=O)c1cncc2c1CC[C@H]2C
13803 HB13803 Phytochemical Awadcharidine Aconitum finetianum 685.80 NC(=O)CCC(=O)Nc1ccccc1C(=O)OC[C@@]12CC[C@@H]([C@]34[C@@H]1[C@H](C([C@@]1([C@@H]5[C@H]3C[C@@H]([C@@H]5OC)[C@H](C1)OC)O)(O)C4N(C2)CC)OC)OC
13804 HB13804 Phytochemical L-Albizziine Albizia julibrissin, Albizzia lophantha, Albizzia lophantha 147.13 NC(=O)NC[C@@H](C(=O)O)N
13805 HB13805 Phytochemical Citrulline Agaricus campestris L. ex Fr., Sesamum indicum, Citrullus vulgaris Schrad., Juglans regia L., Cucurbita moschata (Duch.) Poiret, Medicago sativa L., Momordica charantia L., Aucklandia lappa, Luffa cylindrica (L.) Roem., Trichosanthes kirilowii Maxim 175.19 NC(=O)NCCCC(C(=O)O)N
13806 HB13806 Phytochemical ?,?-Diaminopropionic acid Trichosanthes cucumeroides (Ser.) Maxim. 104.11 NC[C@@H](C(=O)O)N
13807 HB13807 Phytochemical Kurchamine Holarrhena antidysenterica Wall. 328.54 NC1CCC2(C(C1)CCC1C2CCC23C1CCC2=C(N(C3)C)C)C
13808 HB13808 Phytochemical Glycine Pinellia ternata, Lycium chinense Mill., Lycium chinense Mill., Codonopsis pilosula Nannf. var. modesta (Nannf.) L.T. Shen, Codonopsis pilosula Nannf. var. modesta (Nannf.) L.T. Shen, Codonopsis pilosula, Solanum nigrum L., Solanum nigrum L., Aucklandia l 75.07 NCC(=O)O
13809 HB13809 Phytochemical L-?,?-Diaminobutyric acid Agaricus campestris L. ex Fr., Polygonatum cyrtonema, Lathyrus latifolius 118.13 NCC[C@H](C(=O)O)N
13810 HB13810 Phytochemical ?-Amino-?-methylene butyric acid Arachis hypogaea L. 115.13 NCCC(=C)C(=O)O
13811 HB13811 Phytochemical ?-Alanine Iris tectorum Maxim., Iris tingitana 89.09 NCCC(=O)O
13812 HB13812 Phytochemical Ornithine Orobanche coerulescens Steph. 132.16 NCCCC(C(=O)O)N
13813 HB13813 Phytochemical Putrescine Panax ginseng C. A. Mey., Hordeum vulgare 88.15 NCCCCN
13814 HB13814 Phytochemical Agmatine Claviceps purpurea (Fr.) Tul. 130.19 NCCCCNC(=N)N
13815 HB13815 Phytochemical sym-Homospermidine Santalum album 159.27 NCCCCNCCCCN
13816 HB13816 Phytochemical Aminobutyl canavalmine Canavalia gladiata 287.49 NCCCCNCCCCNCCCNCCCCN
13817 HB13817 Phytochemical Spermidine Panax ginseng C. A. Mey., Avena sativa, Avena sativa, Lycopersicon esculentum Mill., Lycopersicon esculentum Mill., Nicotiana tabacum L., Glycine max (L.) Merr., Glycine max (L.) Merr. 145.25 NCCCCNCCCN
13818 HB13818 Phytochemical Spermine Panax ginseng C. A. Mey., Avena sativa, Avena sativa, Hordeum vulgare L., Hordeum vulgare, Helianthus tuberosus, Helianthus tuberosus 244.42 NCCCNCCCCCCCNCCCN
13819 HB13819 Phytochemical Ethanolamine Rhinoceros sondAlcus Desmarest, Rhinoceros unicornis L., Rhinoceros sumatrensis (Fischer), Rhinoceros sondAlcus Desmarest 61.08 NCCO
13820 HB13820 Phytochemical Taurine Calculus bovis, Scorpion (Buthus martensii), Buthus martensi Karsch, Lycium chinense Mill., Lycium chinense Mill. 125.15 NCCS(=O)(=O)O
13821 HB13821 Phytochemical angelol G Angelica sinensis 376.40 O([C@@H]([C@H](O)C(O)(C)C)c1c(OC)cc2oc(=O)ccc2c1)C(=O)/C(=C/C)/C
13822 HB13822 Phytochemical Sibiricose A6 Polygala sibirica 548.49 O([C@@H]1[C@@H]([C@H](O[C@]1(OC1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)CO)CO)CO)O)C(=O)/C=C/c1cc(c(c(c1)OC)O)OC
13823 HB13823 Phytochemical Yunnanxane Taxus mAlrei (Lemee et Levi.) S. Y. Hu, Taxus yunnanensis Cheng et L. K. Fu 562.69 O([C@@H]1[C@@H]2[C@@](C[C@@H](OC(=O)C)C3=C(C[C@H](OC(=O)[C@@H]([C@@H](O)C)C)[C@H]1C3(C)C)C)(CCC(OC(=O)C)C2=C)C)C(=O)C
13824 HB13824 Phytochemical Bupleuroside III Bupleurum falcatum 813.02 O([C@@H]1[C@]([C@H]2[C@@]([C@@H]3[C@]([C@]4(C(=C[C@H]3OC)[C@H]3[C@@]([C@@H](O)C4)(CCC(C3)(C)C)CO)C)(CC2)C)(CC1)C)(CO)C)[C@@H]1O[C@@H]([C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)[C@H]1O)C
13825 HB13825 Phytochemical Bupleuroside VI Bupleurum falcatum 784.97 O([C@@H]1[C@]([C@H]2[C@@]([C@@H]3[C@]([C@]4(C(=CO3)[C@H]3[C@@]([C@@H](O)C4)(CCC(C3)(C)C)CO)C)(CC2)C)(CC1)C)(CO)C)[C@@H]1O[C@@H]([C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)[C@H]1O)C
13826 HB13826 Phytochemical 23-O-Acetyl-3?,12?,23S,24R-tetrahydroxy-20S,25-epoxydamma-rane 3-O-[?-D-xylopyranosyl(1?2)]-?-D-glucopyranoside Gynostemma pentaphyllum 829.02 O([C@@H]1C([C@@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)O)[C@H](CC2)[C@@]1(C[C@@H]([C@H](C(O1)(C)C)O)OC(=O)C)C)C)C)C)(C)C)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)CO
13827 HB13827 Phytochemical 23-O-Acetyl-3?,12?,23S,24R-tetrahydroxy-20S,25-epoxydamma-rane 3-O-[?-D-xylopyranosyl(1?2)][?-D-xylopyranosyl(1?6)]-?-D-glu-copyranoside Gynostemma pentaphyllum 961.14 O([C@@H]1C([C@@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)O)[C@H](CC2)[C@@]1(C[C@@H]([C@H](C(O1)(C)C)O)OC(=O)C)C)C)C)C)(C)C)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O
13828 HB13828 Phytochemical 23-O-Acetyl-3?,12?,23S,24R-tetrahydroxy-20S,25-epoxydamma-rane 3-O-[?-D-xylopyranosyl(1?2)]-?-D-xylopyranoside Gynostemma pentaphyllum 799.00 O([C@@H]1C([C@@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)O)[C@H](CC2)[C@@]1(C[C@@H]([C@H](C(O1)(C)C)O)OC(=O)C)C)C)C)C)(C)C)[C@@H]1OC[C@H]([C@@H]([C@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O
13829 HB13829 Phytochemical Hederasaponin C Hedera helix O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H]([C@@H]([C@H]([C@H]2O)O)O)C)[C@H](O)[C@H]1O)CO)C(=O)[C@@]12CC[C@]3([C@@]4(CC[C@H]5[C@]([C@H](CC[C@@]5([C@H]4CC=C3[C@@H]1CC(CC2)(C)C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C
13830 HB13830 Phytochemical Hederagenin 28-O-?-L-rhamnopyranosyl-(1?4)-?-D-glucopyra-nosyl(1?6)-?-D-glucopyranoside Oplopanax elatus Nakai 943.12 O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H]([C@@H]([C@H]([C@H]2O)O)O)C)[C@H](O)[C@H]1O)CO)C(=O)[C@H]1[C@@H]2CC[C@]3([C@@]4(CC[C@H]5[C@]([C@H](CC[C@@]5([C@H]4CC=C3[C@@H]2CC(C1)(C)C)C)O)(C)CO)C)C
13831 HB13831 Phytochemical 3''-O-Acetylplatycodin D2 Platycodon grandiflorum 976.09 O([C@@H]1O[C@@H]([C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@H]1O)CO)[C@H]1[C@H](C[C@]2([C@@H](C1(CO)CO)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)C[C@H]([C@@]1([C@H]2CC(CC1)(C)C)C(=O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)
13832 HB13832 Phytochemical 2''-O-Acetylplatycodin D2 Platycodon grandiflorum 990.11 O([C@@H]1O[C@@H]([C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@H]1O)CO)[C@H]1[C@H](C[C@]2([C@@H](C1(CO)CO)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)C[C@H]([C@@]1([C@H]2CC(CC1)(C)C)C(=O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1OC
13833 HB13833 Phytochemical Ginsenoside Ia Panax ginseng C. A. Mey. 801.01 O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@@H]1C([C@H]2[C@](CC1)([C@@H]1[C@@](C[C@@H]2O)([C@]2([C@H]([C@@H](C1)O)[C@H](CC2)[C@@](O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(CCC=C(C)C)C)C)C)C)(C)C
13834 HB13834 Phytochemical Ginsenoside La Panax ginseng C. A. Mey. 783.00 O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@@H]1C([C@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@@H]3[C@@H](C1)O[C@H](C[C@]([C@H]3CC2)(C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C=C(C)C)C)C)C)(C)C
13835 HB13835 Phytochemical Ginsenoside Rh3 Panax ginseng C. A. Mey. 618.88 O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@@H]1C([C@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)O)[C@@H](/C(=C\CC=C(C)C)/C)CCC2)C)C)C)(C)C
13836 HB13836 Phytochemical 20(S)-Ginsenoside Rh2 Panax ginseng C. A. Mey. 622.87 O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@@H]1C([C@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)O)[C@@H]([C@](CCC=C(C)C)(O)C)CC2)C)C)C)(C)C
13837 HB13837 Phytochemical Ginsenoside Ib Panax ginseng C. A. Mey. 801.01 O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@@H]1C([C@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)O)[C@H](CC2)[C@@](O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(CC[C@H](C(=C)C)O)C)C)C)C)(C)C
13838 HB13838 Phytochemical Ginsenoside III Panax ginseng C. A. Mey. 961.14 O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@@H]1C([C@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)O)[C@H](CC2)[C@@](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)(CCC(=O)C(=C)C)C)C)C)C)(C)C
13839 HB13839 Phytochemical (2S)-Pteroside K Pteridium aquilinum (l.) Kuhn var. latiusculum (Desv.) Unaerw 428.90 O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C[C@@]1(C(=O)c2c(C1)cc(c(c2C)CCCl)C)C
13840 HB13840 Phytochemical Herbacetin-3-?-D-(2-O-?-D-glucopyranosylglucopyranoside)-8-?-D-glucopyranoside Equisetum hiemale 788.66 O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)c1c(cc(c2c1oc(c(c2=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)O)CO)O)O)CO)c1ccc(cc1)O)O)O
13841 HB13841 Phytochemical Hedyotol C 4,4''-di-O-?-D-glucopyranoside Eucommia ulmoides 908.89 O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)c1ccc(cc1OC)[C@@H]1[C@@H]2[C@H](CO1)[C@H](OC2)c1cc(c(c(c1)OC)O[C@H](CO)[C@H](c1ccc(c(c1)OC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)OC
13842 HB13842 Phytochemical 4-Hydroxybenzyl-O-?-D-glucopyranoside Anethum graveolens L. 286.28 O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)Cc1ccc(cc1)O
13843 HB13843 Phytochemical 6'-O-?-L-Arabinopyranosylswertiamarin Swertia japonica 506.45 O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)[C@@H]1OC=C2[C@]([C@H]1C=C)(CCOC2=O)O
13844 HB13844 Phytochemical 6'-O-?-D-Galactopyranosylswertiamarin Swertia japonica 536.48 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@@H]1OC=C2[C@]([C@H]1C=C)(CCOC2=O)O
13845 HB13845 Phytochemical Araloside C Aralia elata (Miq.) Seem. O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)C(=O)O)[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@@H]2CC(CC1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
13846 HB13846 Phytochemical 3'-O-?-D-Galactopyranosylswertiamarin Swertia japonica 536.48 O([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)[C@@H]1OC=C2[C@]([C@H]1C=C)(CCOC2=O)O
13847 HB13847 Phytochemical Acteroside Plantago major L., Orobanche coerulescens Steph., Plantago asiatica L, Rehmannia glutinosa (Gaertn.) Libosch ex Mey., Marrubium vulgare, Buddleja officinalis, Paulownia tomentosa (Thunb.) Steud. 624.59 O([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)C)OC(=O)/C=C/c1cc(c(cc1)O)O)CO)CCc1cc(c(cc1)O)O
13848 HB13848 Phytochemical Ginsenoside Rb3 Panax ginseng C. A. Mey., Gynostemma pentaphyllum, Panax quinquefolium L., Panax japonicus var. bipinnatifidus (Seem.) Wu et Feng 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@@H]1C([C@H]2[C@](CC1)([C@@H]1[C@@](C[C@@H]2O)([C@]2([C@H]([C@@H](C1)O)[C@@H]([C@](CCC=C(C)C)(C[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1OC[C@H]([C@@H]([C@H]1O)
13849 HB13849 Phytochemical Ginsenoside Rd Panax ginseng C. A. Mey., Gynostemma pentaphyllum, Panax quinquefolium L., Panax japonicus var. major (Burk.) Wu et Feng, Panax notoginseng 947.15 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@@H]1C([C@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)O)[C@@H]([C@@](CCC=C(C)C)(C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)CC2)C)C)C)(C)C
13850 HB13850 Phytochemical Ginsenoside Rb1 Panax ginseng C. A. Mey., Panax ginseng C. A. Mey., Gynostemma pentaphyllum, Panax japonicus var. bipinnatifidus (Seem.) Wu et Feng, Panax quinquefolium L., Panax notoginseng 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@@H]1C([C@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)O)[C@@H]([C@@](CCC=C(C)C)(C)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
13851 HB13851 Phytochemical Ginsenoside Rc Panax ginseng C. A. Mey., Panax quinquefolium L., Panax notoginseng 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@@H]1C([C@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)O)[C@@H]([C@@](CCC=C(C)C)(C)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]1O)O)C
13852 HB13852 Phytochemical Ginsenoside Ra2 Panax ginseng C. A. Mey. 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@@H]1C([C@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)O)[C@@H]([C@@](CCC=C(C)C)(C)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]1O[C@@
13853 HB13853 Phytochemical Ginsenoside Rb2 Panax ginseng C. A. Mey., Panax ginseng C. A. Mey., Panax quinquefolium L., Panax notoginseng 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@@H]1C([C@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)O)[C@@H]([C@@](CCC=C(C)C)(C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O
13854 HB13854 Phytochemical Ginsenoside I Panax ginseng C. A. Mey. 979.15 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@@H]1C([C@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)O)[C@H](CC2)[C@@](CC[C@@H](C(=C)C)OO)(C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(C)C
13855 HB13855 Phytochemical Ginsenoside II Panax ginseng C. A. Mey. 979.15 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@@H]1C([C@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)O)[C@H](CC2)[C@@](CC[C@H](C(=C)C)OO)(C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(C)C
13856 HB13856 Phytochemical Ginsenoside Rs2 Panax ginseng C. A. Mey. 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)COC(=O)C)[C@@H]1C([C@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)O)[C@@H]([C@@](CCC=C(C)C)(C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1O[C@H]([C@@H](C1)O)
13857 HB13857 Phytochemical Ginsenoside Rs1 Panax ginseng C. A. Mey. 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)COC(=O)C)[C@@H]1C([C@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)O)[C@@H]([C@@](CCC=C(C)C)(C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1OC[C@@H]([C@@H]([C@
13858 HB13858 Phytochemical Ginsenoside Ra0 Panax ginseng C. A. Mey., Panax quinquefolium L. 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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)CO)O)O)CO)[C@@H]1C([C@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)O)[C@@H]([C@@](CCC=C(C)C)(C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@
13859 HB13859 Phytochemical Araboglycyrrhizin Glycyrrhiza inflata 778.92 O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O)O)C(=O)O)[C@H]1CC[C@]2([C@@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@]1(CC[C@@]1([C@@H]2C[C@](CC1)(C(=O)O)C)C)C)C)C
13860 HB13860 Phytochemical 6''-?-D-Arabinose-genistin Glycine max (L.) Merr. 564.49 O([C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1OC[C@@H]([C@H]([C@@H]1O)O)O)c1cc(c2c(c1)occ(c2=O)c1ccc(cc1)O)O
13861 HB13861 Phytochemical 23-O-Acetylshengmanol 3-O-?-L-arabinopyranoside Cimicifuga foetida L. 662.85 O([C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)[C@@H]1C([C@@H]2[C@]3(CC1)[C@]1([C@@H](CC2)[C@]2([C@](CC1)([C@H](C(=O)[C@@H]2O)[C@@H](C[C@H]([C@H]1C(C)(O1)C)OC(=O)C)C)C)C)C3)(C)C
13862 HB13862 Phytochemical isofutoquinol A Piper kadsura 354.40 O([C@]12[C@@]3(C1[C@@]([C@@H]3c1cc3OCOc3cc1)(C(=O)C=C2OC)CC=C)C)C
13863 HB13863 Phytochemical Thalicoside A Thalictrum minus L. 799.00 O([C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H]1CC[C@@]23[C@H]([C@@]1(CO[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)C)CC[C@H]1[C@]2(CC[C@]2([C@]1(C[C@@H]([C@@H]2[C@H]([C@H](CC=C(C)C)O)C)O)C)C)C3
13864 HB13864 Phytochemical Agave cantala Compound 1 Agave angustifolia Haw 770.94 O([C@H]1[C@@H](C[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@H]1[C@@H]2[C@@H]([C@@]2(O1)OC[C@@H](CC2)C)C)C)C)O)[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
13865 HB13865 Phytochemical Bupleuroside IX Bupleurum falcatum 797.02 O([C@H]1[C@H]2[C@]([C@]3(C(=C1)[C@H]1[C@@]([C@@H](O)C3)(CCC(C1)(C)C)CO)C)(CC[C@@H]1[C@@]2(CC[C@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)[C@H]2O)C)C1(C)C)C)C)C
13866 HB13866 Phytochemical Achyranthoside II Achyranthes bidentata 794.92 O([C@H]1CC[C@]2([C@@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@@H]2CC(CC1)(C)C)C(=O)O)C)C)C)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@H](OCC(=O)O)[C@H](C(=O)O)O)O)C(=O)O
13867 HB13867 Phytochemical Achyranthoside I Achyranthes bidentata O([C@H]1CC[C@]2([C@@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@@H]2CC(CC1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)[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[C@H](OCC(=O)O)[C@H](C(=O)O)O)O)C(=O
13868 HB13868 Phytochemical 3-O-?-(2''-O-Acetyl)-D-xylopyranosyl-3?-hydroxyolean-12-ene-28,29-dioic acid Nothopanax davidii (Franch.) Harms 660.84 O([C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2C[C@@](CC1)(C(=O)O)C)C(=O)O)C)C)C)[C@@H]1OC[C@H]([C@@H]([C@H]1OC(=O)C)O)O
13869 HB13869 Phytochemical Agave americana Compound 3 Agave americana L. 770.90 O([C@H]1CC[C@]2([C@H](C1)[C@H](C[C@@H]1[C@@H]2CC(=O)[C@]2([C@H]1C[C@H]1[C@@H]2[C@@H]([C@@]2(O1)OC[C@@H](CC2)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
13870 HB13870 Phytochemical Agave cantala Saponin 1 Agave angustifolia Haw 754.94 O([C@H]1CC[C@]2([C@H](C1)[C@H](C[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@H]1[C@@H]2[C@@H]([C@@]2(O1)OC[C@@H](CC2)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)[C@@H]1O[C@@H]([C@H]([C@@H](C1)O)O)CO
13871 HB13871 Phytochemical Agavasaponin E Agave americana L. 888.03 O([C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC(=O)[C@]2([C@H]1C[C@H]1[C@@H]2[C@@H]([C@@]2(O1)OC[C@@H](CC2)C)C)C)C)[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@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)
13872 HB13872 Phytochemical Agave americana Compound 4 Agave americana L. O([C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC(=O)[C@]2([C@H]1C[C@H]1[C@@H]2[C@@H]([C@@]2(O1)OC[C@@H](CC2)C)C)C)C)[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)O)CO)O[C@@H]1OC[C@H]([C@@H]([C@
13873 HB13873 Phytochemical Agavasaponin H Agave americana L. O([C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC(=O)[C@]2([C@H]1C[C@H]1[C@@H]2[C@@H]([C@](O1)(CC[C@@H](C)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)C)C)C)[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@@H]1O[C@@H]([C@H]([C
13874 HB13874 Phytochemical Agave cantala Substance 1 Agave angustifolia Haw 931.07 O([C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC(=O)[C@]2([C@H]1CC[C@H]1[C@@H]2[C@@H]([C@@]2(O1)OC[C@@H](CC2)C)C)C)C)[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@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)CO)CO
13875 HB13875 Phytochemical Agave americana Glycoside 1 Agave americana L. 908.06 O([C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1C[C@H]1[C@@H]2[C@@H]([C@@]2(O1)OC[C@@H](CC2)C)C)C)C)[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]1OC[C@H]([C@@H]([C@H]1O)O)O)O
13876 HB13876 Phytochemical Agave cantala Compound 1' Agave angustifolia Haw 905.08 O([C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@H]1[C@@H]2[C@@H]([C@@]2(O1)OC[C@@H](CC2)C)C)C)C)[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[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)
13877 HB13877 Phytochemical Agave cantala Agaveside B Agave angustifolia Haw 919.10 O([C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@H]1[C@@H]2[C@@H]([C@@]2(O1)OC[C@@H](CC2)C)C)C)C)[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[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O[
13878 HB13878 Phytochemical Agave cantala Agaveside A Agave angustifolia Haw 919.10 O([C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@H]1[C@@H]2[C@@H]([C@@]2(O1)OC[C@@H](CC2)C)C)C)C)[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]1OC[C@H]([C@@H]([C@H]1O)O)O)O)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1
13879 HB13879 Phytochemical Agave cantala Agaveside C Agave angustifolia Haw 937.12 O([C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@H]1[C@@H]2[C@@H]([C@@]2(O1)OC[C@@H](CC2)C)C)C)C)[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@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O
13880 HB13880 Phytochemical Agave cantala Agaveside D Agave angustifolia Haw O([C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@H]1[C@@H]2[C@@H]([C@@]2(O1)OC[C@@H](CC2)C)C)C)C)[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@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C
13881 HB13881 Phytochemical Crocetin dimethyl ester Crocus sativus L. 356.46 O(C(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(=O)OC)\C)\C)/C)/C)C
13882 HB13882 Phytochemical 3-O-Caffeoylshikimic acid Phoenix dactylifera L. 336.29 O(C(=O)/C=C/c1cc(c(cc1)O)O)C1CC(=CC(C1O)O)C(=O)O
13883 HB13883 Phytochemical Pyrethrins Eugenia caryopyhllata 372.46 O(C(=O)[C@H]1C([C@@H]1/C=C(\C)/C(=O)OC)(C)C)[C@H]1CC(=O)C(=C1C)C/C=C/C=C
13884 HB13884 Phytochemical 1-Acetoxy-6?-hydroxy-4?H-1,10-secoeudesma-5(10),11(13)-dien-12,8?-olide Inula japonica Thunb. 308.37 O(C(=O)C)CCC[C@@H](C1=C(C)C[C@@H]2[C@H]([C@@H]1O)C(=C)C(=O)O2)C
13885 HB13885 Phytochemical delta-Phenothrin Eugenia caryopyhllata 350.45 O(C(=O)C1C(C1C=C(C)C)(C)C)Cc1cc(Oc2ccccc2)ccc1
13886 HB13886 Phytochemical Isovaleroxy-hydroxy dihydrovaltrate Valeriana officinalis L. 540.60 O(C(=O)CC(C)C)C(C(C)C)C(=O)OCC1=COC(C2C1(CC(C12CO1)OC(=O)CC(C)C)O)OC(=O)C
13887 HB13887 Phytochemical Anticancer Glycerol Ester PMV70P691-119 Brucea javanica 620.99 O(C(=O)CCCCCCC/C=C\CCCCCCCC)C[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O
13888 HB13888 Phytochemical oleoyl danshenxinkun A Salvia miltiorrhiza 560.76 O(C(=O)CCCCCCC/C=C\CCCCCCCC)CC(C1=C(C(=O)c2c3c(c(ccc3)C)ccc2C1=O)O)C
13889 HB13889 Phytochemical Methyl pentadecanoate Codonopsis pilosula, Ligusticum chuanxiong 256.42 O(C(=O)CCCCCCCCCCCCCC)C
13890 HB13890 Phytochemical columbianetin acetate Angelica pubescens 288.30 O(C(C)(C)C1Oc2ccc3ccc(=O)oc3c2C1)C(=O)C
13891 HB13891 Phytochemical Methyl(2E,8Z)-decadien-4,6-diynoate Solidago virgaurea L. var. leiocarpa (Benth.) A. Gray 174.20 O(C)C(=O)/C=C/C#CC#C/C=C/C
13892 HB13892 Phytochemical 1-1isolated compounds Xanthium sibiricum 262.30 O(C)C(=O)C1(CC(C(OC)C(C1)OC)OC)OC
13893 HB13893 Phytochemical 2',3'-Dihydroxy-1'-propoxypseudolarate B Pseudolarix kaempferi 506.54 O(C)C(=O)C1=CC[C@@]23[C@@](CC1)([C@@H](CC2)[C@](OC3=O)(/C=C\C=C(\C(=O)OC[C@@H](CO)O)/C)C)OC(=O)C
13894 HB13894 Phytochemical Isocantleyine Siphonostegia chinensis Benth. 207.23 O(C)C(=O)c1cncc2c1C[C@H]([C@@H]2C)O
13895 HB13895 Phytochemical beta-Lumicolchicine Iphigenia indica Kunth et Benth 399.44 O(C)c1c(OC)c(c2c(c1)CCC(C1=C2C2C1C(=O)C(=C2)OC)NC(=O)C)OC
13896 HB13896 Phytochemical Artemisetin Artemisia annua, Achillea millefolium L., Artemisia annua L., Artemisia scoparia Wldst. et Kitaibel, Gardenia jasminoides 388.37 O(C)c1c(OC)c(c2c(c1)oc(c(c2=O)OC)c1cc(OC)c(cc1)OC)O
13897 HB13897 Phytochemical Areapillin Artemisia capillaris, Artemisia capillaries, Artemisia annua L. 360.32 O(C)c1c(OC)c(c2c(c1)oc(cc2=O)c1c(O)cc(c(c1)OC)O)O
13898 HB13898 Phytochemical Macrophyllin B lsodon japonica 402.48 O(C)c1c(OC)c(cc(c1)C1[C@@H]2[C@H](C(=C[C@]([C@H]1C)(OC)C2=O)C(C)C=C)O)OC
13899 HB13899 Phytochemical Aschantin Magnolia biondii Pamp. 400.42 O(C)c1c(OC)c(cc(c1)C1OCC2C1COC2c1ccc2c(c1)OCO2)OC
13900 HB13900 Phytochemical Magnoshinin Magnolia salicifolia 414.49 O(C)c1c(OC)c2[C@H](c3cc(c(cc3OC)OC)OC)[C@H](C(=Cc2c(c1)OC)C)C

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