Exact Mass: 542.2383
Exact Mass Matches: 542.2383
Found 500 metabolites which its exact mass value is equals to given mass value 542.2383
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Physagulin C
Constituent of the famine food Physalis angulata (cutleaf ground cherry). Physagulin C is found in herbs and spices and fruits. Physagulin C is found in fruits. Physagulin C is a constituent of the famine food Physalis angulata (cutleaf ground cherry).
Cinncassiol C1 19-glucoside
Cinncassiol C1 19-glucoside is found in herbs and spices. Cinncassiol C1 19-glucoside is a constituent of Cinnamomum cassia (Chinese cinnamon) Constituent of Cinnamomum cassia (Chinese cinnamon). Cinncassiol C1 19-glucoside is found in herbs and spices.
Italidipyrone
Italidipyrone is found in herbs and spices. Italidipyrone is a constituent of Helichrysum italicum (curry plant). Constituent of Helichrysum italicum (curry plant). Italidipyrone is found in tea and herbs and spices.
((2R,5R)-2-Benzyl-5-(prop-2-yn-1-yloxy)piperidin-1-yl)(4-(bis(4-fluorophenyl)(hydroxy)methyl)-2H-1,2,3-triazol-2-yl)methanone
4-[3-Chloro-4-(pyridin-2-ylmethoxy)anilino]-6-[[(E)-4-(dimethylamino)but-2-enyl]amino]-7-ethoxyquinoline-3-carbonitrile
Cochinchinenin B
Chembl4569322
Satratoxin F
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE isolated standard
7beta,8beta-2,3-Diepoxyroridin H
15-Benzoyl-10-deacetyl-2-debenzoyl-10-dehydro-abeo-baccatin III
2alpha-angeloyloxy-3alpha-(2-methylbutyryloxy)-3,4-betaH-bacchotricuneatin|2alpha-angeloyloxy-3alpha-<2-methylbutyryloxy>-3,4-betaH-bacchotricuneatin
7alpha,12alpha-diacetoxy-14beta,15beta-epoxy-11beta-hydroxyneotecleanin|7??,12??-Diacetoxy-14??,15??-epoxy-11??-hydroxyneotecleanin
1beta,2beta,8beta-triacetoxy-9beta-cinnamoyloxy-beta-dihydroagarofuran
1beta,2beta,6alpha-triacetoxy-9alpha-cinnamoyloxy-beta-dihydroagarofuran
(2S,3S)-pterosin C 3-O-beta-(4-p-coumaroyl)-glucopyranoside|multifidoside A
10-O-[(2E,6R)-8-hydroxy-2,6-dimethyl-1-oxooct-2-en-1-yl]geniposidic acid|rel-(1R,4aR,7aR)-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-{{[(2E,6R)-8-hydroxy-2,6-dimethyl-1-oxooct-2-en-1-yl]oxy}methyl}cyclopenta[c]pyran-4-carboxylic acid|scyphiphorin B
A9CME97XV3
Cochinchinenin C is a natural product found in Dracaena cochinchinensis with data available.
C26H38O12_7-Hydroxy-1-({2-O-[(2E,6E)-8-hydroxy-2,6-dimethyl-2,6-octadienoyl]-beta-D-glucopyranosyl}oxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
(1R,7S,8E,9S,14S,15S,17R)-8-ethylidene-15-(1-hydroxypropan-2-yl)-17-methyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6,12-trioxatricyclo[12.2.1.0⁴,⁹]heptadec-4-ene-3,11-dione
(1R,7S,8E,9S,14S,15S,17R)-8-ethylidene-15-(1-hydroxypropan-2-yl)-17-methyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6,12-trioxatricyclo[12.2.1.0⁴,⁹]heptadec-4-ene-3,11-dione_major
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Cinncassiol C1 19-glucoside
Physagulin C
Italidipyrone
2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S,3R-dihydroxyundecanoic acid
Nicansteroidin C
Physagulin F
N-Benzyloxycarbonyl-L-lysine benzyl ester p-toluenesulfonate
Ethyl 5,8-bis(benzyloxy)-4-{[dimethyl(2-methyl-2-propanyl)silyl]o xy}-2-naphthoate
(2S,3R,4S,5R,6R)-2-fluoro-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
2,3,4,6-tetra-o-benzyl-alpha-d-glucopyranosyl fluoride
2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL FLUORIDE
disodium 4-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl] 2-sulphonatosuccinate
(3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]- 3,5-dihydrosy-6-heptane acid,
4-[3-[2-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid
N-[2-morpholin-4-yl-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
8-Ethylidene-15-(1-hydroxypropan-2-yl)-17-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,12-trioxatricyclo[12.2.1.04,9]heptadec-4-ene-3,11-dione
N-[3-(Dimethylamino)propyl]-2-({[4-({[4-(formylamino)-1-methyl-1H-pyrrol-2-YL]carbonyl}amino)-1-methyl-1H-pyrrol-2-YL]carbonyl}amino)-5-isopropyl-1,3-thiazole-4-carboxamide
((2R,5R)-2-Benzyl-5-(prop-2-yn-1-yloxy)piperidin-1-yl)(4-(bis(4-fluorophenyl)(hydroxy)methyl)-2H-1,2,3-triazol-2-yl)methanone
N-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
4-[3-Chloro-4-(pyridin-2-ylmethoxy)anilino]-6-[[(E)-4-(dimethylamino)but-2-enyl]amino]-7-ethoxyquinoline-3-carbonitrile
(-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3,15-dibenzoyloxy-5,6-epoxylathyr-12-en-14-one
A lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
8-[1-(1,3-Benzodioxol-5-yl)-3-(4-phenyl-1-piperazinyl)propyl]-5,7-dimethoxy-4-methyl-1-benzopyran-2-one
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-2-octoanoyl-sn-glycerol
4-[[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
4-[[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
1-O-[(6Z,9R,10E,12E,14Z,16S)-19-carboxy-9,16-dihydroxynonadeca-6,10,12,14-tetraenoyl]-beta-D-glucopyranuronic acid
(1R,7S,8E,9S,14S,15S,17R)-8-ethylidene-15-(1-hydroxypropan-2-yl)-17-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,12-trioxatricyclo[12.2.1.04,9]heptadec-4-ene-3,11-dione
[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (Z)-tetradec-9-enoate
[1-Acetyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] pentanoate
[1-Propanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] butanoate
1-(9Z-tetradecenoyl)-glycero-3-phospho-(1-myo-inositol)
Atrasentan
Atrasentan (ABT-627) is an endothelin receptor antagonist with IC50 of 0.0551 nM for ETA[1].
MARK4 inhibitor 2
MARK4 inhibitor 2 is an inhibitor of microtubule affinity-regulating kinase 4 (MARK4) with an Km of 6.3×10 7 and an IC50 of 0.82 μM. MARK4 inhibitor 2 inhibits the growth of human cells and can be used for cancer research[1].
RAF709
RAF709 is a potent, selective, and efficacious RAF inhibitor with IC50s of 0.4 nM and 0.5 nM for BRAF and CRAF, respectively[1]. Antitumor efficacy[1].
4-(acetyloxy)-11-hydroxy-1-(2-hydroxy-5-oxo-2h-furan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-10-yl acetate
(1r,2e,4z,8r,9s,11r,13r,18r,22e,24r)-26,27-dihydroxy-9,15-dimethyl-7,12,20,25,28-pentaoxaspiro[hexacyclo[21.4.3.1⁸,¹¹.0¹,²⁴.0⁹,¹⁸.0¹³,¹⁸]hentriacontane-10,2'-oxirane]-2,4,14,22-tetraene-6,21-dione
(1s,3r,5r,9s,10s,12r,15r,17s,18r,19r,20s,23e,25e,27r,28r)-3,13,19,28-tetramethyl-4,7,11,16,21,29,30-heptaoxaspiro[heptacyclo[25.2.1.1¹⁷,²⁰.0³,⁵.0⁹,¹⁵.0⁹,¹⁹.0¹⁰,¹²]hentriacontane-18,2'-oxirane]-13,23,25-triene-6,22-dione
methyl 2-[11-(acetyloxy)-14-(furan-3-yl)-2,7,7,9,13-pentamethyl-6,16-dioxo-3,15-dioxapentacyclo[8.7.0.0¹,¹³.0²,¹⁰.0⁴,⁹]heptadec-4-en-8-yl]-2-hydroxyacetate
methyl (2z)-3-[(1r,2r,4s,7s,8s,11r,12s,16s,17r)-17-(acetyloxy)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate
(5s,6r,9s,10s,15s,16e,17s)-16-ethylidene-6-hydroxy-5,9-dimethyl-17-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,12,18-trioxatricyclo[13.4.0.0⁶,¹⁰]nonadec-1(19)-ene-2,13-dione
(1s,2s,3r,4s,7r,9s,10s,11s,14s)-4-(acetyloxy)-9,11,14-trihydroxy-10,13,16,16-tetramethyl-18-oxo-6,17-dioxapentacyclo[9.4.3.0¹,¹².0³,¹⁰.0⁴,⁷]octadec-12-en-2-yl benzoate
1-[(1s,2s,5r,6r)-5-(2h-1,3-benzodioxol-5-yl)-6-[(1e)-2-(2h-1,3-benzodioxol-5-yl)ethenyl]-2-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carbonyl]pyrrolidine
[(2r,3s,4s,5r,6r)-6-{[(3as,6ar,8s,9ar,9bs)-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
(1s,2s,3r,4s,7r,9s,10s,14s)-4-(acetyloxy)-9,11,14-trihydroxy-10,13,16,16-tetramethyl-18-oxo-6,17-dioxapentacyclo[9.4.3.0¹,¹².0³,¹⁰.0⁴,⁷]octadec-12-en-2-yl benzoate
(10-{6-[(acetyloxy)methyl]-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl}-6-(furan-3-yl)-7,11-dimethyl-4-oxo-2,5-dioxatricyclo[5.4.0.0¹,³]undecan-11-yl)methyl acetate
(1r,3r,7s,12s,14r,15r,16s,17s,20z,22e,24s,28r)-24-acetyl-28-hydroxy-10,16-dimethyl-2,5,13,18,25-pentaoxaspiro[hexacyclo[22.3.1.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶]nonacosane-15,2'-oxirane]-10,20,22-triene-4,19-dione
(2e,4e,6e)-7-[(2s,3s,4as,4bs,6r,7r,8s,8ar,10ar)-6-(acetyloxy)-3-{[(1-carboxyeth-1-en-1-yl)oxy]carbonyl}-8-hydroxy-4a,7-dimethyl-4-oxo-1,2,3,4b,5,6,7,8,8a,10a-decahydrophenanthren-2-yl]hepta-2,4,6-trienoic acid
(2e,4e,6e)-7-[(2's,3s,4'as,4'bs,5r,6'r,7'r,8's,8'ar,10'ar)-6'-(acetyloxy)-8'-hydroxy-5-(hydroxymethyl)-4'a,7'-dimethyl-2,4,4'-trioxo-2',4'b,5',6',7',8',8'a,10'a-octahydro-1'h-spiro[oxolane-3,3'-phenanthren]-2'-yl]hepta-2,4,6-trienoic acid
(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-{[(1s,2s)-5-(2-hydroxyethyl)-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
6,19-dihydroxy-12-methoxy-1,15,22,26-tetramethyl-4,21,24-trioxaheptacyclo[21.3.1.0²,⁶.0³,¹⁹.0³,²².0⁷,¹⁶.0¹⁰,¹⁵]heptacosa-8,10-diene-5,14,20,25-tetrone
methyl 2-[(1r,2r,5r,6r,12r,13r,15r,17r,18r)-13-(acetyloxy)-6-(furan-3-yl)-12,17-dihydroxy-1,5,15-trimethyl-8,14-dioxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹²,¹⁷]octadec-10-en-18-yl]acetate
4-formyl-4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-7-yl 8-hydroxy-2,6-dimethylocta-2,6-dienoate
(1s,4s,5r,6r,7s,11r,16s,17s,18r,19r)-5,16,17-trihydroxy-6,14,18-trimethyl-4-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-13-en-9-one
(5r,6s,7as)-5-(3-{[(2r,3r,4s,5r,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}prop-1-en-2-yl)-6-ethenyl-3,6-dimethyl-4,5,7,7a-tetrahydro-1-benzofuran-2-one
methyl 3-[17-(acetyloxy)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate
4-{[(1r,2s,4r,5r,6r,7r,10s,11s,14s,16r)-5-(acetyloxy)-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-14-yl]oxy}-4-oxobutanoic acid
(1s,2r,4s,5r,6r,7s,9r,12r)-4,5,12-tris(acetyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl (2e)-3-phenylprop-2-enoate
(1s,3r,10r,15s,17s,21s,22r,23r,25s,29r)-23-hydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.1¹⁵,²².0¹,¹³.0³,⁷.0³,¹⁰.0¹⁷,²¹.0²⁵,²⁹]nonacos-12-ene-5,14,19,24-tetrone
(2r,3r,4s,5s,6r)-2-{[(4e,12e)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(22e)-24-acetyl-28-hydroxy-10,16-dimethyl-2,5,13,18,25-pentaoxaspiro[hexacyclo[22.3.1.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶]nonacosane-15,2'-oxirane]-10,20,22-triene-4,19-dione
methyl 8,15-bis(acetyloxy)-4,5,7,10,14,14-hexamethyl-6,18-dioxo-19-oxapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadeca-3,7-diene-9-carboxylate
2-[(1r,2s,3s,5s,10s,11s,13r,16s)-16-(acetyloxy)-2,5,11-trihydroxy-6,10-dimethyl-8,9-dioxo-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-3-yl]propan-2-yl benzoate
10-deacetyl-10-oxobaccatin iii
{"Ingredient_id": "HBIN000083","Ingredient_name": "10-deacetyl-10-oxobaccatin iii","Alias": "NA","Ingredient_formula": "C29H34O10","Ingredient_Smile": "CC1=C2C(=O)C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C","Ingredient_weight": "542.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4762","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15812759","DrugBank_id": "NA"}
10-deacetyl-13-oxobaccatin iii
{"Ingredient_id": "HBIN000085","Ingredient_name": "10-deacetyl-13-oxobaccatin iii","Alias": "NA","Ingredient_formula": "C29H34O10","Ingredient_Smile": "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1=O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O","Ingredient_weight": "542.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4761","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15227070","DrugBank_id": "NA"}
15-benzoyl-10-deacetyl-2-debenzoyl-10-de-hydro-abeo-baccatin iii
{"Ingredient_id": "HBIN001623","Ingredient_name": "15-benzoyl-10-deacetyl-2-debenzoyl-10-de-hydro-abeo-baccatin iii","Alias": "NA","Ingredient_formula": "C29H34O10","Ingredient_Smile": "CC1=C2C(=O)C(=O)C3(C(CC4C(C3C(C2(CC1O)C(C)(C)OC(=O)C5=CC=CC=C5)O)(CO4)OC(=O)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2236","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2R,3S)- pterosin C 3- O- β-(4′- p- coumaroyl)- glucopyra-noside
{"Ingredient_id": "HBIN006501","Ingredient_name": "(2R,3S)- pterosin C 3- O- \u03b2-(4\u2032- p- coumaroyl)- glucopyra-noside","Alias": "NA","Ingredient_formula": "C29H34O10","Ingredient_Smile": "CC1C(C2=CC(=C(C(=C2C1=O)C)CCO)C)OC3C(C(C(C(O3)CO)OC(=O)C=CC4=CC=C(C=C4)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41783","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2S,3S)- pterosin C 3- O- β-(4′- p- coumaroyl)- glucopyranoside
{"Ingredient_id": "HBIN006729","Ingredient_name": "(2S,3S)- pterosin C 3- O- \u03b2-(4\u2032- p- coumaroyl)- glucopyranoside","Alias": "NA","Ingredient_formula": "C29H34O10","Ingredient_Smile": "CC1C(C2=CC(=C(C(=C2C1=O)C)CCO)C)OC3C(C(C(C(O3)CO)OC(=O)C=CC4=CC=C(C=C4)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41782","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6alpha-Acetoxy-5-epilimonin
{"Ingredient_id": "HBIN012193","Ingredient_name": "6alpha-Acetoxy-5-epilimonin","Alias": "6\u03b1-acetoxy-5-epilimonin; 6alpha-acetoxy-5-epilimonin","Ingredient_formula": "C30H38O9","Ingredient_Smile": "CC1C(=O)OC(C2(C1(C3(C(CC2)C45COC(=O)CC4OC(C5C(C3=O)OC(=O)C)(C)C)C)C)C)C6=COC=C6","Ingredient_weight": "542.68","OB_score": "12.7362038","CAS_id": "NA","SymMap_id": "SMIT01070;SMIT14120","TCMID_id": "25403;179","TCMSP_id": "MOL004005","TCM_ID_id": "19335","PubChem_id": "NA","DrugBank_id": "NA"}
6β-acetoxy-5-epilimonin
{"Ingredient_id": "HBIN012250","Ingredient_name": "6\u03b2-acetoxy-5-epilimonin","Alias": "6beta-acetoxy-5-epilimonin","Ingredient_formula": "C30H38O9","Ingredient_Smile": "CC1C(=O)OC(C2(C1(C3(C(CC2)C45COC(=O)CC4OC(C5C(C3=O)OC(=O)C)(C)C)C)C)C)C6=COC=C6","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14121;SMIT18854","TCMID_id": "25402;180","TCMSP_id": "NA","TCM_ID_id": "19336","PubChem_id": "NA","DrugBank_id": "NA"}
agnucastoside a
{"Ingredient_id": "HBIN014873","Ingredient_name": "agnucastoside a","Alias": "NA","Ingredient_formula": "C26H38O12","Ingredient_Smile": "CC(=CCO)CCC=C(C)C(=O)OCC1C(C(C(C(O1)OC2C3C(CCC3(C)O)C(=CO2)C(=O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "750","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}