Exact Mass: 446.1882
Exact Mass Matches: 446.1882
Found 500 metabolites which its exact mass value is equals to given mass value 446.1882
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Estrone glucuronide
Estrone-glucuronide is the dominant metabolite of estradiol. Estrone glucuronide is formed by a UDP glucuronyltransferase (EC 2.4.1.17, UTP) reaction creating a much more water-soluble form of the hormone; glucuronides are the most abundant estrogen conjugates. Measurement of estrone-glucuronide is used as one reference method for determining ovulation (immunotubes are available for measuring urinary estrone glucuronide in conjunction with LH, one of the most advanced of ovulation prediction products). (PMID: 14742773, 1755456) [HMDB] Estrone-glucuronide is the dominant metabolite of estradiol. Estrone glucuronide is formed by a UDP glucuronyltransferase (EC 2.4.1.17, UTP) reaction creating a much more water-soluble form of the hormone; glucuronides are the most abundant estrogen conjugates. Measurement of estrone-glucuronide is used as one reference method for determining ovulation (immunotubes are available for measuring urinary estrone glucuronide in conjunction with LH, one of the most advanced of ovulation prediction products). (PMID: 14742773, 1755456). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8325
Thioproperazine
Thioproperazine is a potent neuroleptic with antipsychotic properties. Thioproperazine has a marked cataleptic and antiapomorphine activity associated with relatively slight sedative, hypothermic and spasmolytic effects. It is virtually without antiserotonin and hypotensive action and has no antihistaminic property. It is used for the treatment of all types of acute and chronic schizophrenia, including those which did not respond to the usual neuroleptics; manic syndromes. Overdosage may result in severe extrapyramidal symptoms with dysphagia, marked sialorrhea, persistent and rapidly increasing hyperthermia, pulmonary syndrome, state of shock with pallor and profuse sweating, which may be followed by collapse and coma. LD50 in mice is 70 mg/kg I.V., 120 mg/kg I.P., 500 mg/kg S.C. and 830 mg/kg P.O. N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AB - Phenothiazines with piperazine structure C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Thioproperazine (RP 7843) is an orally active antipsychotic agent with calming, antiemetic activity. Thioproperazine is effective in promoting the release of dopamine in rat striatum. Thioproperazine can be used in studies of schizophrenia and bipolar disorder[1].
Cubebininolide
Cubebininolide is found in herbs and spices. Cubebininolide is a constituent of Piper cubeba (cubeb pepper). Constituent of Piper cubeba (cubeb pepper). Cubebininolide is found in herbs and spices.
5'-O-Methylmelledonal
5-O-Methylmelledonal is found in mushrooms. 5-O-Methylmelledonal is a metabolite of Armillaria mellea (honey mushroom Metabolite of Armillaria mellea (honey mushroom). 5-O-Methylmelledonal is found in mushrooms.
Methyl (2R,3R)-2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]amino]butanoate
Ochrocarpin G
A furanocoumarin that is 8,9-dihydro-2H-furo[2,3-h]chromen-2-one substituted by a hydroxy group at position 5, a 2-hydroxypropan-2-yl group at position 8, 2-methylbutanoyl group at position 6 and a (1R)-1-(acetyloxy)propyl group at position 4. Isolated from the bark of Ochrocarpos punctatus, it exhibits cytotoxicity against the A2780 ovarian cancer cell line.
[3aR-[3aalpha,4alpha(E),6beta,8alpha,8aalpha,9aalpha]]-6,8-bis(Acetyloxy)-2,3,3a,4,6,7,8,8a,9,9a-decahydro-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid
(S)-4-ethyl-4-hexanoyloxy-1,12-dihydro-4H-pyrano[3,4:6,7]indolizino[1,2-b]quinoline-3,14-dione|20-Hexanoyl-camptothecin|4(S)-ethyl-4-hexanoyl-1H-pyrano-[3,4:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione|O-hexanoyl-camptothecin
Desaspidin
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02D - Anticestodals C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
rel-(7S,8R,1R,2R,3S,4S)-Delta8-4-acetoxy-2-hydroxy-3,3,5-trimethoxy-4,5-methylenedioxy-1,2,3,4-tetrahydro-7.3,8.1-neolignan
2-Hydroxy-3-[(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-pentylbenzoic acid
7-O-acetyldunnianin|rel-(1R,4aS,6S,7S,8S,8aS,9S)-6-(acetyloxy)-8-[(benzoyloxy)methyl]hexahydro-7,8a-dihydroxy-7,8,9-trimethyl-1,4a-ethano-4aH-2-benzopyran-3(4H)-one
(5S,8R,9S,10R)-2S,7R-diacetoxy-15,16-epoxy-12R-hydroxycleroda-3,13(16),14-trien-18,19-olide|salvigresin
O1-{4-[(1R,2S)-1-Aethyl-2-(4-hydroxy-phenyl)-butyl]-phenyl}-beta-D-glucopyranuronsaeure|O1-{4-[(1R,2S)-1-ethyl-2-(4-hydroxy-phenyl)-butyl]-phenyl}-beta-D-glucopyranuronic acid
9-O-Acetyl-(7R,8S,7R,8S)-(-)-fargesol|9-O-acetyl-(7S,8R,7S,8S)-(-)-fargesol
(4E)-2alpha,15-Diacetoxy-8beta-tigloyloxycostunolid
(3S,4aR,5S,6R,6aR,10aS,10bR)-5,6-bis(acetyloxy)-1,2,4a,5,6a,7a,10a,10b-octahydro-4a,6a,10b-trimethyl-7-methylenespiro[furan-3(2H),3-[3H]naphtho[2,1-b]pyran]-5,8(4H,6H)-dione|barbatellarine E
salvicin A|[(2S,3R,4R)-4-hydroxy-4-(4-hydroxy-3-methoxy-benzyl)-2-(4-hydroxy-3-methoxyphenyl)tetrahydro-3-furanyl]methyl butyrate
rel-(1R,4S,5R,7S,8R)-Delta2,8-4-acetoxy-4-hydroxy-3,5,3,5-tetramethoxy-6-oxo-8.1,7.5-neolignan
6-(2-(acetoxymethyl)-6-hydroxy-4-methylphenoxy)-2-methoxy-3-(1-methoxy-3-methylbutyl)benzoic acid|penikellide B
(7R,8R,8S)-7-(2,4,5-trimethoxyphenyl)-4,7alpha,8-trimethoxy-8,8-dimethyl-2,5-quinone
(1S,2S,3S,4S,5S,9R,10S,12S,13S)-1,12-acetoxy-2,3-hydroxy-6-oxopimara-7-(8),15-dien-18-oic acid 2,18-lactone|1,3-(epoxymethano)acetic acid 6-acetoxy-2-hydroxy-1,4a,7-trimethyl-10,12-dione-7-vinyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-4-yl ester|chenopodolin
5-[2-hydroxy-3-methyl-3-(propan-2-yloxy)butoxy]-9-[(2-hydroxy-3-methylbut-3-en-1-yl)oxy]-2H-furo[3,2-g]chromen-2-one|furanocoumarin|oncosepalin A
6-acetyl-6-benzoylhexahydro-8-hydroxy-8a-(1-hydroxy-1-methylethyl)-2,8-dimethyl-7-oxo-2H-cyclopent[b]oxepin-4-carboxylic acid|hypertricone
michaolide D
A cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae.
caesalpinin D
A diterpenoid lactone isolated from the seed kernels of Caesalpinia crista that has been found to exhibit antimalarial activity.
erythro-2,3-Bis(4-acetoxy-3-methoxyphenyl)-3-ethoxypropan-1-ol acetate
6-aldehyde-1alpha,19-diacetoxy-6,7-seco-ent-kaur-16-en-15-one-7,20-olide|isodojaponin E
3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)-4-[[2,4,6-trihydroxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]cyclohexa-2,4-dien-1-one
9beta-isovaleryloxyhelenalin-<2,3-epoxyisobutyrate>
1-(3,4-Dihydroxyphenyl)-7-(3-methoxy-4-hydroxyphenyl)-3,5-diacetoxyheptane
(3beta)-3-(acetyloxy)-14-O-benzoyl-10-deoxyfloridanolide|rel-(4R,5R,6R,6aR,7S,9R,9aR)-7-(acetyloxy)-6-[(benzoyloxy)methyl]-hexahydro-5,6a-dihydroxy-5,6,9-trimethyl-4H-4,9a-methanocyclopent[d]oxocin-2(1H)-one
2,3-Bis(4-hydroxy-3-methoxybenzyl)butane-1,4-diol 1,4-diacetate
7-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
9-O-Acetyl-fargesol
9-O-Acetyl-fargesol is a natural product found in Magnolia kobus and Magnolia praecocissima with data available.
Methylpseudolarate B
Estrone-3-(beta-D-glucuronide) - CASMI2016 Category 1 - Challenge 15
3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
C24H30O8_Dispiro[furan-3(2H),1(5H)-naphthalene-5,2-oxiran]-4(6H)-one, 2-(acetyloxy)-4a-[(acetyloxy)methyl]-5-(3-furanyl)octahydro-2-methyl-, (2S,2R,3R,4aS,5S,5R,8aR)
Thioproperazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AB - Phenothiazines with piperazine structure C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Thioproperazine (RP 7843) is an orally active antipsychotic agent with calming, antiemetic activity. Thioproperazine is effective in promoting the release of dopamine in rat striatum. Thioproperazine can be used in studies of schizophrenia and bipolar disorder[1].
3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan [IIN-based: Match]
3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan [IIN-based on: CCMSLIB00000848284]
Ala Glu Met Pro
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Ala Gly His Tyr
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Phe Gly His Ser
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Gly His Ala Tyr
Gly His Phe Ser
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Gly Gln Gly Trp
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Gly Ser Phe His
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Gly Tyr Ala His
Gly Tyr His Ala
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Ile Cys Asp Pro
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Pro Ala Glu Met
Pro Ala Met Glu
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Gln Gly Gly Trp
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Ser Phe Gly His
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Estrone glucuronide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones The 3-beta-D-glucuronide of estrone.
5'-O-Methylmelledonal
Ethyl 18-bromo-8E,17E19Z-tricosatrien-4,6-diynoate
Ethyl 18-bromo-8E,17E,19Z-tricosatrien-4,6-diynoate
Otamixaban
C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C173067 - Direct Factor Xa Inhibitor D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors D006401 - Hematologic Agents > D000925 - Anticoagulants > D000991 - Antithrombins COVID info from Guide to PHARMACOLOGY Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(3R,3aS,4S,4aS,7R,9aR)-3-Methyl-7-nitro-1-oxo-N,N-diphenyl-1,3,3a,4,4a,5,6,7,8,9a-decahydronaphtho[2,3-c]furan-4-carboxamide
(2E)-(R)-5-(diphenylamino)-5-oxopent-3-en-2-y13-(5-nitrocyclohex-1-en-1-y1)acylate
1,4-Bis(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan
(1s,2r)-2-{[(1s)-1-[(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)methyl]-3,4-Dihydroisoquinolin-2(1h)-Yl]carbonyl}cyclohexanecarboxylic Acid
Ochrocarpin F
A furanocoumarin that is 8,9-dihydro-2H-furo[2,3-h]chromen-2-one substituted by a hydroxy group at position 5, a 2-hydroxypropan-2-yl group at position 8, 2-methylbutanoyl group at position 6 and a (1S)-1-(acetyloxy)propyl group at position 4. Isolated from the bark of Ochrocarpos punctatus, it exhibits cytotoxicity against the A2780 ovarian cancer cell line.
(1R,2S)-2-[[(1S)-1-[(1,3-dioxo-2-isoindolyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]-1-cyclohexanecarboxylic acid
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-5-propan-2-yltriazole-4-carboxamide
2-(5,8-dimethyl-2,4-dioxo-3-phenyl-1-pyrimido[5,4-b]indolyl)-N-(2-oxolanylmethyl)acetamide
(1S,5R)-3-{[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(6R,7S,8R)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8S)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
1-[2-({5-amino-1-[(1-carboxylato-2-hydroxyethyl)-c-hydroxycarbonimidoyl]pentyl}-c-hydroxycarbonimidoyl)-3,4-dihydroxyphenyl]-1λ⁵-pyridin-1-ylium
3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)-4-{[2,4,6-trihydroxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl}cyclohexa-2,4-dien-1-one
(3as,4s,4ar,7as,8s,9r,9as)-4a,8-dimethyl-9-[(3-methylbutanoyl)oxy]-3-methylidene-2,5-dioxo-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-4-yl (2s)-2-methyloxirane-2-carboxylate
(3r,4r)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
2-butanoyl-4-[(2,6-dihydroxy-3,3-dimethyl-4-oxo-5-propanoylcyclohexa-1,5-dien-1-yl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
(3ar,4r,9s,9ar)-6,7,8-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1h,3h,3ah,4h,9h,9ah-naphtho[2,3-c]furan-4-ol
3-chloro-2-(3,7-dimethylocta-2,6-dien-1-yl)-2,5,7-trihydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione
8-(acetyloxy)-7-ethenyl-16-hydroxy-1,7,11-trimethyl-3,15-dioxo-14-oxatetracyclo[11.2.1.0²,¹¹.0⁵,¹⁰]hexadec-4-en-12-yl acetate
(2r,3r,4s,5s,6r)-2-[(7-hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-4-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(4ar,4br,7r,8ar,9r,10ar)-3-(acetyloxy)-7-ethenyl-8a-hydroxy-1,1,4a,7-tetramethyl-2,5,8-trioxo-6,9,10,10a-tetrahydro-4bh-phenanthren-9-yl acetate
(1s,2r,3'r,4'bs,8'ar,9's,10's)-3'-(acetyloxy)-10'-hydroxy-2,4'b,8',8'-tetramethyl-1',4',7'-trioxo-3',5',6',8'a,9',10'-hexahydrospiro[cyclopropane-1,2'-phenanthren]-9'-yl acetate
6,7,8-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1h,3h,3ah,4h,9h,9ah-naphtho[2,3-c]furan-4-ol
ethyl (8e,17e,19e)-18-bromotricosa-8,17,19-trien-4,6-diynoate
(2r,4'as,5'r,5''s,6'r,8'r,8'ar)-8'-(acetyloxy)-5''-(furan-3-yl)-6'-methyl-2''-oxo-hexahydro-2'h-dispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate
methyl (1r,7s,8s,9s)-7-(acetyloxy)-9-[(1e,3e)-5-methoxy-4-methyl-5-oxopenta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0¹,⁷]tridec-3-ene-4-carboxylate
2-butanoyl-6-[(3-butanoyl-2,6-dihydroxy-4-methoxyphenyl)methyl]-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
6-(acetyloxy)-2-formyl-3-methyl-10'-methylidene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0¹,⁶]dodecan]-3-ylmethyl acetate
(1r,3ar,4s,6ar)-1,4-bis(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan
methyl 3-[(1s)-1-(acetyloxy)-3-methylbutyl]-6-[2-hydroxy-6-(hydroxymethyl)-4-methylphenoxy]-2-methoxybenzoate
4-[(1s,3ar,4r,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-tetrahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenol
(1s,9s,15r,16r,17s)-4,5,6,9,10,11-hexamethoxy-15,16-dimethyl-8-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,10,13-pentaen-12-one
2-methyl-6-{[3,4,5-trihydroxy-6-(2-hydroxy-2-phenylethoxy)oxan-2-yl]methoxy}oxane-3,4,5-triol
(1s,2r,5s,6r,8r,9s,10r,11s,12s)-9-(acetyloxy)-12-hydroxy-2,5,6,12-tetramethyl-3-oxo-7,16-dioxapentacyclo[9.7.0.0²,⁸.0⁶,⁸.0¹³,¹⁷]octadeca-13(17),14-dien-10-yl acetate
4,5,6,9,10,11-hexamethoxy-15,16-dimethyl-8-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,10,13-pentaen-12-one
1-(1-hydroxyethyl)-4β-rutinosyloxybenzene
{"Ingredient_id": "HBIN000442","Ingredient_name": "1-(1-hydroxyethyl)-4\u03b2-rutinosyloxybenzene","Alias": "NA","Ingredient_formula": "C20H30O11","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10105","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
16-acetoxycoleon u 11-acetate
{"Ingredient_id": "HBIN001783","Ingredient_name": "16-acetoxycoleon u 11-acetate","Alias": "NA","Ingredient_formula": "C24H30O8","Ingredient_Smile": "CC(COC(=O)C)C1=C(C2=C(C(=C1O)OC(=O)C)C3(CCCC(C3=C(C2=O)O)(C)C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "146","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxyphenylethyl 4-o-β-d-glucopyranosyl-(1→3)-o-α-l-rhamnopyranoside
{"Ingredient_id": "HBIN010566","Ingredient_name": "4-hydroxyphenylethyl 4-o-\u03b2-d-glucopyranosyl-(1\u21923)-o-\u03b1-l-rhamnopyranoside","Alias": "NA","Ingredient_formula": "C20H30O11","Ingredient_Smile": "CC1C(C(C(C(O1)OC2=CC=C(C=C2)CCO)O)OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10619","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-acetyl-teucjaponin b
{"Ingredient_id": "HBIN012175","Ingredient_name": "6-acetyl-teucjaponin b","Alias": "NA","Ingredient_formula": "C24H30O8","Ingredient_Smile": "CC1CC(C2(C(C13CC(OC3=O)C4=COC=C4)CCCC25CO5)COC(=O)C)OC(=O)C","Ingredient_weight": "446.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "524","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "3036767","DrugBank_id": "NA"}
9'-o-acetyl-(7r,8s,7r,8s)-(?)-fargesol
{"Ingredient_id": "HBIN014148","Ingredient_name": "9'-o-acetyl-(7r,8s,7r,8s)-(?)-fargesol","Alias": "NA","Ingredient_formula": "C24H30O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "394","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
albaspidin pb
{"Ingredient_id": "HBIN015070","Ingredient_name": "albaspidin pb","Alias": "NA","Ingredient_formula": "C24H30O8","Ingredient_Smile": "CCCC(=O)C1C(=O)C(C(=O)C(C1=O)(C)C)CC2C(=O)C(C(=O)C(C2=O)(C)C)C(=O)CC","Ingredient_weight": "446.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "853","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91936206","DrugBank_id": "NA"}
barbatusin
{"Ingredient_id": "HBIN017595","Ingredient_name": "barbatusin","Alias": "NA","Ingredient_formula": "C24H30O8","Ingredient_Smile": "CC1CC12C(C(=O)C3=C(C2=O)C(C(C4C3(CCC(=O)C4(C)C)C)OC(=O)C)O)OC(=O)C","Ingredient_weight": "446.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6426;21736","PubChem_id": "71676379","DrugBank_id": "NA"}