Exact Mass: 322.0985
Exact Mass Matches: 322.0985
Found 205 metabolites which its exact mass value is equals to given mass value 322.0985,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
DINITRAMINE
DINITRAMINE
CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4721; ORIGINAL_PRECURSOR_SCAN_NO 4718 CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4717; ORIGINAL_PRECURSOR_SCAN_NO 4714 CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4730; ORIGINAL_PRECURSOR_SCAN_NO 4727 CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4709; ORIGINAL_PRECURSOR_SCAN_NO 4705 CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4727; ORIGINAL_PRECURSOR_SCAN_NO 4726 CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4723; ORIGINAL_PRECURSOR_SCAN_NO 4720
Lepidimoic acid
3,4-dihydroxy-2-[(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy]-3,4-dihydro-2H-pyran-6-carboxylic acid
Isolated from seeds of Lepidium sativum (garden cress). Lepidimoic acid is found in garden cress and brassicas. Lepidimoic acid is found in brassicas. Lepidimoic acid is isolated from seeds of Lepidium sativum (garden cress
Berberrubine
16-hydroxy-17-methoxy-5,7-dioxa-13lambda5-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2,4(8),9,13,15(20),16,18-octaen-13-ylium
Berberrubine is found in fruits. Berberrubine is an alkaloid from Berberis vulgaris (barberry
Flazine methyl ether
1-[5-(methoxymethyl)furan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
Flazine methyl ether is found in blackcurrant. Flazine methyl ether is an alkaloid from freshly pressed juice of blackcurrant (Ribes nigrum)(Grossulariaceae). Alkaloid from freshly pressed juice of blackcurrant (Ribes nigrum)(Grossulariaceae). Flazine methyl ether is found in fruits and blackcurrant. D004791 - Enzyme Inhibitors
Dansylsarcosine
2-[N-Methyl5-(dimethylamino)naphthalene-1-sulphonamido]acetic acid
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003619 - Dansyl Compounds
groenlandicine
16-methoxy-5,7-dioxa-1-azoniapentacyclo[11.8.0.0^{3,11.0^{4,8.0^{14,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-17-ol
Groenlandicine is a protoberberine alkaloid isolated from Coptidis Rhizoma. Groenlandicine exhibits moderate inhibitory effect with IC50 value of 154.2 μM for human recombinant aldose reductase (HRAR)[1]. Groenlandicine selectively induces topoisomerase I-mediated DNA cleavage[2]. Groenlandicine is a protoberberine alkaloid isolated from Coptidis Rhizoma. Groenlandicine exhibits moderate inhibitory effect with IC50 value of 154.2 μM for human recombinant aldose reductase (HRAR)[1]. Groenlandicine selectively induces topoisomerase I-mediated DNA cleavage[2].
alpha-D-(Galactopyranuronsaeure)-L-rhamnose-1,2:2,1-dianhydrid|alpha-D-galactopyranuronic acid beta-L-rhamnopyranose 1,2:2,1-dianhydride
alpha-D-(Galactopyranuronsaeure)-L-rhamnose-1,2:2,1-dianhydrid|alpha-D-galactopyranuronic acid beta-L-rhamnopyranose 1,2:2,1-dianhydride
11-beta-Hydroxy-12-oxocurvularin|11beta-Hydroxy-12-oxocurvularin|8-beta-hydroxy-7-oxocurvularin
11-beta-Hydroxy-12-oxocurvularin|11beta-Hydroxy-12-oxocurvularin|8-beta-hydroxy-7-oxocurvularin
5,7-Dimethoxy-8-(3,3-dimethoxyoxiranylmethyl)-2H-1-benzopyran-2-one
5,7-Dimethoxy-8-(3,3-dimethoxyoxiranylmethyl)-2H-1-benzopyran-2-one
rel-(4aR,10aR)-4a,10a-dihydro-3,4a,7,10a-tetramethoxydibenzo[b,e][1,4]dioxin-1(4H)-one|sampsone B
rel-(4aR,10aR)-4a,10a-dihydro-3,4a,7,10a-tetramethoxydibenzo[b,e][1,4]dioxin-1(4H)-one|sampsone B
1S,2R,3R,4S-2-[(benzoyloxy)methyl]cyclohex-5-ene-1,2,3,4-tetrol 3-acetate
1S,2R,3R,4S-2-[(benzoyloxy)methyl]cyclohex-5-ene-1,2,3,4-tetrol 3-acetate
1S,2R,3R,4S-2-[(benzoyloxy)methyl]cyclohex-5-ene-1,2,3,4-tetrol 4-acetate
1S,2R,3R,4S-2-[(benzoyloxy)methyl]cyclohex-5-ene-1,2,3,4-tetrol 4-acetate
2,3-O-Benzylidene,1,5-Di-O-Ac(R-)-beta-D-Furanose-Ribose
2,3-O-Benzylidene,1,5-Di-O-Ac(R-)-beta-D-Furanose-Ribose
1,2-Dihydro-1-hydroxy-2-(1,2,3-trihydroxy-3-methylbuty)-8H-furo[2,3h]-1-benzopyran-8-one
1,2-Dihydro-1-hydroxy-2-(1,2,3-trihydroxy-3-methylbuty)-8H-furo[2,3h]-1-benzopyran-8-one
1,8-dihydroxynaphthol 1-O-alpha-glucopyranoside|naphthalene-1,8-diol-1-O-alpha-D-glucopyranoside
1,8-dihydroxynaphthol 1-O-alpha-glucopyranoside|naphthalene-1,8-diol-1-O-alpha-D-glucopyranoside
8-methoxy-1-naphthalenol-6-O-alpha-D-ribofuranoside
8-methoxy-1-naphthalenol-6-O-alpha-D-ribofuranoside
(7,14-dioxo-5,7,12,14-tetrahydro-phthalazino[2,3-b]phthalazin-5-yl)-urea|7-Ureido-phthalazino<2,3-b>phthalazin-5,12(7H,14H)-dion
(7,14-dioxo-5,7,12,14-tetrahydro-phthalazino[2,3-b]phthalazin-5-yl)-urea|7-Ureido-phthalazino<2,3-b>phthalazin-5,12(7H,14H)-dion
5-O-Cinnamoylquinic acid
5-O-Cinnamoylquinic acid
(E)-5-O-Cinnamoylquinic acid is the isomer of 5-O-Cinnamoylquinic acid. 5-O-Cinnamoylquinic acid is a co-pigment. 5-O-Cinnamoylquinic acid could form the stable blue solution to clarify the mechanism of blue sepal-color development of hydrangea[1][2].
Cys Gly Gly Ser
(2S)-2-(2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}acetamido)-3-hydroxypropanoic acid
Cys Gly Ser Gly
2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-hydroxypropanamido]acetic acid
Cys Ser Gly Gly
2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]acetamido}acetic acid
Gly Cys Gly Ser
(2S)-2-{2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]acetamido}-3-hydroxypropanoic acid
Gly Cys Ser Gly
2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-hydroxypropanamido]acetic acid
Gly Gly Cys Ser
(2S)-2-[(2R)-2-[2-(2-aminoacetamido)acetamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid
Gly Gly Ser Cys
(2R)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid
Gly Ser Cys Gly
2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]-3-sulfanylpropanamido]acetic acid
Gly Ser Gly Cys
(2R)-2-{2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]acetamido}-3-sulfanylpropanoic acid
Ser Cys Gly Gly
2-{2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]acetamido}acetic acid
Ser Gly Cys Gly
2-[(2R)-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-3-sulfanylpropanamido]acetic acid
Ser Gly Gly Cys
(2R)-2-(2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}acetamido)-3-sulfanylpropanoic acid
Chileninone
16-hydroxy-17-methoxy-5,7-dioxa-13$l^{5}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2,4(8),9,13,15,17,19-octaen-13-ylium
(R)-2-[[2-(4-nitrophenyl ethyl] aMino]-1-phenyl ethanol Monohydrochloride
(R)-2-[[2-(4-nitrophenyl ethyl] aMino]-1-phenyl ethanol Monohydrochloride
(2S,4S)-PROPYL 6-FLUORO-2,5-DIOXOSPIRO[CHROMAN-4,4-IMIDAZOLIDINE]-2-CARBOXYLATE
(2S,4S)-PROPYL 6-FLUORO-2,5-DIOXOSPIRO[CHROMAN-4,4-IMIDAZOLIDINE]-2-CARBOXYLATE
5-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-2-PHENYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
5-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-2-PHENYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
1-FLUORO-4-HYDROXY-1,4-DIAZONIABICYCLO[2.2.2]OCTANE BIS(TETRAFLUOROBORATE)
1-FLUORO-4-HYDROXY-1,4-DIAZONIABICYCLO[2.2.2]OCTANE BIS(TETRAFLUOROBORATE)
3-(2,4-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indazole
3-(2,4-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indazole
2-[4-NITRO-2-(TRIFLUOROMETHYL)PHENYL]-1,2,3,4-TETRAHYDROISOQUINOLINE
2-[4-NITRO-2-(TRIFLUOROMETHYL)PHENYL]-1,2,3,4-TETRAHYDROISOQUINOLINE
Methyl 4-hydroxy-6,7-dimethoxy-5-(methoxymethoxy)-2-naphthoate
Methyl 4-hydroxy-6,7-dimethoxy-5-(methoxymethoxy)-2-naphthoate
Acetamide,N,N-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis-
Acetamide,N,N-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis-
BW-723C86
BW-723C86
BW-723C86 is a potent and a selective 5-HT2B receptor agonist. BW-723C86 exhibits anxiolytic-like actions. BW-723C86 also causes hyperphagia and reduced grooming in rats[1][2][3].
3-[(4-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-[(4-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(4-CYANO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(4-CYANO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1,3-DI-O-ACETYL-2-DEOXY-5-O-BENZOYL-L-ERYTHRO-PENTOFURANOSE
1,3-DI-O-ACETYL-2-DEOXY-5-O-BENZOYL-L-ERYTHRO-PENTOFURANOSE
3-(2-CYANO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(2-CYANO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(3-CYANO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(3-CYANO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-(2,4-DIMETHYLPHENYL)-1-MERCAPTO[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE
4-(2,4-DIMETHYLPHENYL)-1-MERCAPTO[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE
5-O-Benzoyl-1,2-di-O-acetyl-3-deoxy-D-ribofuranose
5-O-Benzoyl-1,2-di-O-acetyl-3-deoxy-D-ribofuranose
1-Fluoro-4-hydroxy-1,4-diazoniabicyclo[2,2,2]octane bis(tetrafluoroborate)
1-Fluoro-4-hydroxy-1,4-diazoniabicyclo[2,2,2]octane bis(tetrafluoroborate)
4-(2,3-DIMETHYLPHENYL)-1-MERCAPTO[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE
4-(2,3-DIMETHYLPHENYL)-1-MERCAPTO[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE
3-(1,3-difluoropropan-2-yloxy)-5-phenylmethoxybenzoic acid
3-(1,3-difluoropropan-2-yloxy)-5-phenylmethoxybenzoic acid
3,3-Dimethyl-6-((2,2-dimethyl-1-oxopropyl)amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid monosodium salt
3,3-Dimethyl-6-((2,2-dimethyl-1-oxopropyl)amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid monosodium salt
Thiourea, N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-N-(2-methylpropyl)- (9CI)
Thiourea, N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-N-(2-methylpropyl)- (9CI)
N,N-(9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bisacetamide
N,N-(9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bisacetamide
(2-Fluorophenyl)(1-piperazinyl)methanone trifluoroacetate (1:1)
(2-Fluorophenyl)(1-piperazinyl)methanone trifluoroacetate (1:1)
(4-fluorophenyl)(2-(piperazin-1-yl)pyrimidin-5-yl)methanone hydrochloride
(4-fluorophenyl)(2-(piperazin-1-yl)pyrimidin-5-yl)methanone hydrochloride
2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoic acid
2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoic acid
Zolazepam hydrochloride
Zolazepam hydrochloride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Strobilurin B
Strobilurin B
An enoate ester that is the methyl ester of (2E,3Z,5E)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylene)-3-methylhexa-3,5-dienoic acid. D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins D016573 - Agrochemicals
1-Methyl-5-((4-methylpiperidin-1-yl)sulfonyl)indoline-2,3-dione
1-Methyl-5-((4-methylpiperidin-1-yl)sulfonyl)indoline-2,3-dione
4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester
4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester
2-Amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid
2-Amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid
2,3-Dimethoxy-12H-[1,3]dioxolo[5,6]indeno[1,2-C]isoquinolin-6-ium
2,3-Dimethoxy-12H-[1,3]dioxolo[5,6]indeno[1,2-C]isoquinolin-6-ium
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors D004791 - Enzyme Inhibitors
2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-alpha-L-rhamnopyranose
2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-alpha-L-rhamnopyranose
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione
(2Z)-2-(4-Methoxyphenyl)-2-(quinazolin-4-ylhydrazinylidene)acetic acid
(2Z)-2-(4-Methoxyphenyl)-2-(quinazolin-4-ylhydrazinylidene)acetic acid
[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]thiourea
[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]thiourea
6,7-dimethoxy-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
6,7-dimethoxy-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
2-[[5-(Phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile
2-[[5-(Phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile
(3-Methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-(3-methyl-1-pyrazolyl)methanone
(3-Methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-(3-methyl-1-pyrazolyl)methanone
2-hydroxy-N-[(E)-(6-methyl-4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide
2-hydroxy-N-[(E)-(6-methyl-4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide
(E)-2-(((quinolin-8-ylmethylene)amino)oxy)butyl methanesulfonate
(E)-2-(((quinolin-8-ylmethylene)amino)oxy)butyl methanesulfonate
(2S,3R,4S)-3,4-dihydroxy-2-[(2S,3R,4R,5R,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
(2S,3R,4S)-3,4-dihydroxy-2-[(2S,3R,4R,5R,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
2,4,7-Triacetoxy-5-isopropyl-2,4,6-cycloheptatrien-1-one
2,4,7-Triacetoxy-5-isopropyl-2,4,6-cycloheptatrien-1-one
3,4-dihydroxy-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
3,4-dihydroxy-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Adenosine receptor antagonist 3
Adenosine receptor antagonist 3
Adenosine receptor antagonist 3 is a potent antagonist of adenosine receptor. Adenosine receptor antagonist 3 has the potential for the research of cancer disease (extracted from patent WO2019233994A1, compound 1)[1].
(11r)-11-hydroxy-16-methoxy-5,7-dioxa-13λ⁵-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium
(11r)-11-hydroxy-16-methoxy-5,7-dioxa-13λ⁵-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium
4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecan-6-yl 4-hydroxybenzoate
4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecan-6-yl 4-hydroxybenzoate
6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-tetrahydro-1h-cyclopenta[c]furan-3a-carboxylic acid
6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-tetrahydro-1h-cyclopenta[c]furan-3a-carboxylic acid
(3ar,4s,6as)-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-tetrahydro-1h-cyclopenta[c]furan-3a-carboxylic acid
(3ar,4s,6as)-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-tetrahydro-1h-cyclopenta[c]furan-3a-carboxylic acid
methyl (1r,3r,4s,4as,9ar)-1,4,8-trihydroxy-3-methyl-9-oxo-2,3,4,9a-tetrahydro-1h-xanthene-4a-carboxylate
methyl (1r,3r,4s,4as,9ar)-1,4,8-trihydroxy-3-methyl-9-oxo-2,3,4,9a-tetrahydro-1h-xanthene-4a-carboxylate
(2r,5'z)-5'-[(2-hydroxyphenyl)methylidene]-3h-spiro[1-benzofuran-2,2'-pyrazine]-3',6'-diol
(2r,5'z)-5'-[(2-hydroxyphenyl)methylidene]-3h-spiro[1-benzofuran-2,2'-pyrazine]-3',6'-diol
6-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-methylhept-2-enedioic acid
6-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-methylhept-2-enedioic acid
2-(hydroxymethyl)-6-[(8-hydroxynaphthalen-1-yl)oxy]oxane-3,4,5-triol
2-(hydroxymethyl)-6-[(8-hydroxynaphthalen-1-yl)oxy]oxane-3,4,5-triol
2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-3a-(hydroxymethyl)-tetrahydrocyclopenta[c]furan-1-one
6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-3a-(hydroxymethyl)-tetrahydrocyclopenta[c]furan-1-one
methyl (3e,5e)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
methyl (3e,5e)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
(1s,3r,4r,5s)-1,3,5-trihydroxy-4-{[(2e)-3-phenylprop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
(1s,3r,4r,5s)-1,3,5-trihydroxy-4-{[(2e)-3-phenylprop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
1,2-dihydro-1-hydroxy-2-(1,2,3-trihydroxy-3-methylbutyl)-8h-furo[2,3h]-1-benzopyran-8-one,9ci
NA
{"Ingredient_id": "HBIN000794","Ingredient_name": "1,2-dihydro-1-hydroxy-2-(1,2,3-trihydroxy-3-methylbutyl)-8h-furo[2,3h]-1-benzopyran-8-one,9ci","Alias": "NA","Ingredient_formula": "C16H18O7","Ingredient_Smile": "NA","Ingredient_weight": "322.314","OB_score": "NA","CAS_id": "149183-68-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9586","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,2r,9s,10r,11s,13r)-2,7,9,10-tetrahydroxy-11-methyl-12,16-dioxatetracyclo[11.3.1.0¹,¹⁰.0³,⁸]heptadeca-3,5,7-trien-15-one
(1s,2r,9s,10r,11s,13r)-2,7,9,10-tetrahydroxy-11-methyl-12,16-dioxatetracyclo[11.3.1.0¹,¹⁰.0³,⁸]heptadeca-3,5,7-trien-15-one
(4s,5s,6r)-4,5-dihydroxy-6-{[(2s,3s,4s,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid
(4s,5s,6r)-4,5-dihydroxy-6-{[(2s,3s,4s,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid
(5r,6r,7r,10r,10as)-1,5,6,7,10-pentahydroxy-3-methoxy-6-methyl-5,7,10,10a-tetrahydroanthracen-9-one
(5r,6r,7r,10r,10as)-1,5,6,7,10-pentahydroxy-3-methoxy-6-methyl-5,7,10,10a-tetrahydroanthracen-9-one
4,8-dihydroxy-n-[(1z)-2-(4-hydroxyphenyl)ethenyl]quinoline-2-carboximidic acid
4,8-dihydroxy-n-[(1z)-2-(4-hydroxyphenyl)ethenyl]quinoline-2-carboximidic acid
3-benzyl-1-hydroxy-5-[hydroxy(phenyl)methylidene]pyrazine-2,6-dione
3-benzyl-1-hydroxy-5-[hydroxy(phenyl)methylidene]pyrazine-2,6-dione
[(1r,2s,5s,6r)-5-(acetyloxy)-1,2,6-trihydroxycyclohex-3-en-1-yl]methyl benzoate
[(1r,2s,5s,6r)-5-(acetyloxy)-1,2,6-trihydroxycyclohex-3-en-1-yl]methyl benzoate
4,8-dihydroxy-n-[2-(4-hydroxyphenyl)ethenyl]quinoline-2-carboximidic acid
4,8-dihydroxy-n-[2-(4-hydroxyphenyl)ethenyl]quinoline-2-carboximidic acid
6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid
6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid
(2s)-2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
(2s)-2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
(1r,2r,3r,4as,9ar)-1,2,3,5-tetrahydroxy-7-methoxy-2-methyl-3,4,4a,9a-tetrahydro-1h-anthracene-9,10-dione
(1r,2r,3r,4as,9ar)-1,2,3,5-tetrahydroxy-7-methoxy-2-methyl-3,4,4a,9a-tetrahydro-1h-anthracene-9,10-dione
5'-[(2-hydroxyphenyl)methylidene]-3h-spiro[1-benzofuran-2,2'-pyrazine]-3',6'-diol
5'-[(2-hydroxyphenyl)methylidene]-3h-spiro[1-benzofuran-2,2'-pyrazine]-3',6'-diol
(1s,3s,4ar,10as)-4a,9,10a-trihydroxy-3-(2-hydroxyethyl)-1-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
(1s,3s,4ar,10as)-4a,9,10a-trihydroxy-3-(2-hydroxyethyl)-1-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
(1s,11s)-5,15-dihydroxy-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-4,6,8,14,16,18-hexaene-2,12-dione
(1s,11s)-5,15-dihydroxy-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-4,6,8,14,16,18-hexaene-2,12-dione
(4ar,10ar)-3,4a,7,10a-tetramethoxy-4h-oxanthren-1-one
(4ar,10ar)-3,4a,7,10a-tetramethoxy-4h-oxanthren-1-one
5,7,17λ⁴,19-tetraoxa-13-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-2,4(8),9,14,16,20,22-heptaen-17-ylium
5,7,17λ⁴,19-tetraoxa-13-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-2,4(8),9,14,16,20,22-heptaen-17-ylium
(1s,4s,6r,7r,9s)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecan-6-yl 4-hydroxybenzoate
(1s,4s,6r,7r,9s)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecan-6-yl 4-hydroxybenzoate
(1r,2r)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-hydroxy-3-(hydroxymethyl)cyclohex-3-ene-1-carboxylic acid
(1r,2r)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-hydroxy-3-(hydroxymethyl)cyclohex-3-ene-1-carboxylic acid
11-hydroxy-16-methoxy-5,7-dioxa-13λ⁵-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium
11-hydroxy-16-methoxy-5,7-dioxa-13λ⁵-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium
4,8-dihydroxy-n-[(1e)-2-(4-hydroxyphenyl)ethenyl]quinoline-2-carboximidic acid
4,8-dihydroxy-n-[(1e)-2-(4-hydroxyphenyl)ethenyl]quinoline-2-carboximidic acid
14-amino-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-11,12-dione
14-amino-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-11,12-dione
(1s,3s,4as,10as)-4a,9,10a-trihydroxy-3-(2-hydroxyethyl)-1-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
(1s,3s,4as,10as)-4a,9,10a-trihydroxy-3-(2-hydroxyethyl)-1-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-hydroxy-3-(hydroxymethyl)cyclohex-3-ene-1-carboxylic acid
1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-hydroxy-3-(hydroxymethyl)cyclohex-3-ene-1-carboxylic acid
(4s,5r,6s)-4,5-dihydroxy-6-{[(2s,3r,4r,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid
(4s,5r,6s)-4,5-dihydroxy-6-{[(2s,3r,4r,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(8-hydroxynaphthalen-1-yl)oxy]oxane-3,4,5-triol
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(8-hydroxynaphthalen-1-yl)oxy]oxane-3,4,5-triol
1,5,6,7,10-pentahydroxy-3-methoxy-6-methyl-5,7,10,10a-tetrahydroanthracen-9-one
1,5,6,7,10-pentahydroxy-3-methoxy-6-methyl-5,7,10,10a-tetrahydroanthracen-9-one
(1r,2r,4r)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2,4-dihydroxy-3-methylidenecyclohexane-1-carboxylic acid
(1r,2r,4r)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2,4-dihydroxy-3-methylidenecyclohexane-1-carboxylic acid
methyl (2e,3e,5e)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
methyl (2e,3e,5e)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
4,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-11,12-dione
4,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-11,12-dione
(1s,2s,4s)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2,4-dihydroxy-3-methylidenecyclohexane-1-carboxylic acid
(1s,2s,4s)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2,4-dihydroxy-3-methylidenecyclohexane-1-carboxylic acid
(4s,8s)-8,11,13-trihydroxy-4-methyl-1,4,5,6,8,9-hexahydro-3-benzoxacyclododecine-2,7,10-trione
(4s,8s)-8,11,13-trihydroxy-4-methyl-1,4,5,6,8,9-hexahydro-3-benzoxacyclododecine-2,7,10-trione
12-imino-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,10,13,15-octaene-11,14-diol
12-imino-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,10,13,15-octaene-11,14-diol
(2r,3r,4s,5r)-2-[(5-hydroxy-4-methoxynaphthalen-2-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol
(2r,3r,4s,5r)-2-[(5-hydroxy-4-methoxynaphthalen-2-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol
methyl 2-[(6s)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetate
methyl 2-[(6s)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetate
(5e)-3-benzyl-1-hydroxy-5-[hydroxy(phenyl)methylidene]pyrazine-2,6-dione
(5e)-3-benzyl-1-hydroxy-5-[hydroxy(phenyl)methylidene]pyrazine-2,6-dione
1,3,5-trihydroxy-4-[(3-phenylprop-2-enoyl)oxy]cyclohexane-1-carboxylic acid
1,3,5-trihydroxy-4-[(3-phenylprop-2-enoyl)oxy]cyclohexane-1-carboxylic acid
methyl (1s,3r,4s,4as,9ar)-1,4,8-trihydroxy-3-methyl-9-oxo-2,3,4,9a-tetrahydro-1h-xanthene-4a-carboxylate
methyl (1s,3r,4s,4as,9ar)-1,4,8-trihydroxy-3-methyl-9-oxo-2,3,4,9a-tetrahydro-1h-xanthene-4a-carboxylate
(3ar,4s,6as)-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-3a-(hydroxymethyl)-tetrahydrocyclopenta[c]furan-1-one
(3ar,4s,6as)-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-3a-(hydroxymethyl)-tetrahydrocyclopenta[c]furan-1-one
(1s,2s)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-hydroxy-3-(hydroxymethyl)cyclohex-3-ene-1-carboxylic acid
(1s,2s)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-hydroxy-3-(hydroxymethyl)cyclohex-3-ene-1-carboxylic acid
(1s,4s,6r,7r,9s,11s)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecan-6-yl 4-hydroxybenzoate
(1s,4s,6r,7r,9s,11s)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecan-6-yl 4-hydroxybenzoate
(1r,3r,4r,5s)-1,3,5-trihydroxy-4-{[(2e)-3-phenylprop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
(1r,3r,4r,5s)-1,3,5-trihydroxy-4-{[(2e)-3-phenylprop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
17-hydroxy-16-methoxy-5,7-dioxa-13λ⁵-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium
17-hydroxy-16-methoxy-5,7-dioxa-13λ⁵-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium
[(1r,2s,5s,6r)-6-(acetyloxy)-1,2,5-trihydroxycyclohex-3-en-1-yl]methyl benzoate
[(1r,2s,5s,6r)-6-(acetyloxy)-1,2,5-trihydroxycyclohex-3-en-1-yl]methyl benzoate
5-(2h-1,3-benzodioxol-5-ylmethyl)-6-methyl-2h-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
5-(2h-1,3-benzodioxol-5-ylmethyl)-6-methyl-2h-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
(1r,3s,5s,6r,7s,8r,10r,12s,13r,14r)-6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid
(1r,3s,5s,6r,7s,8r,10r,12s,13r,14r)-6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid
2,7,9,10-tetrahydroxy-11-methyl-12,16-dioxatetracyclo[11.3.1.0¹,¹⁰.0³,⁸]heptadeca-3,5,7-trien-15-one
2,7,9,10-tetrahydroxy-11-methyl-12,16-dioxatetracyclo[11.3.1.0¹,¹⁰.0³,⁸]heptadeca-3,5,7-trien-15-one
1,2,3,5-tetrahydroxy-7-methoxy-2-methyl-3,4,4a,9a-tetrahydro-1h-anthracene-9,10-dione
1,2,3,5-tetrahydroxy-7-methoxy-2-methyl-3,4,4a,9a-tetrahydro-1h-anthracene-9,10-dione
1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2,4-dihydroxy-3-methylidenecyclohexane-1-carboxylic acid
1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2,4-dihydroxy-3-methylidenecyclohexane-1-carboxylic acid
(2e,6r)-6-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-methylhept-2-enedioic acid
(2e,6r)-6-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-methylhept-2-enedioic acid
12-amino-11-hydroxy-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,5,7,9,11,13(17),15-octaen-14-one
12-amino-11-hydroxy-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,5,7,9,11,13(17),15-octaen-14-one
(1s,3s,4ar,10ar)-4a,9,10a-trihydroxy-3-(2-hydroxyethyl)-1-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
(1s,3s,4ar,10ar)-4a,9,10a-trihydroxy-3-(2-hydroxyethyl)-1-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
[(1r,2s,5r,6s)-5-(acetyloxy)-1,2,6-trihydroxycyclohex-3-en-1-yl]methyl benzoate
[(1r,2s,5r,6s)-5-(acetyloxy)-1,2,6-trihydroxycyclohex-3-en-1-yl]methyl benzoate
2-[(5-hydroxy-4-methoxynaphthalen-2-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol
2-[(5-hydroxy-4-methoxynaphthalen-2-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol
methyl 1-[5-(hydroxymethyl)furan-2-yl]-9h-pyrido[3,4-b]indole-3-carboxylate
methyl 1-[5-(hydroxymethyl)furan-2-yl]-9h-pyrido[3,4-b]indole-3-carboxylate
(1s,3r,4s,5r)-1,3,5-trihydroxy-4-{[(2e)-3-phenylprop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
(1s,3r,4s,5r)-1,3,5-trihydroxy-4-{[(2e)-3-phenylprop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
5,15-dihydroxy-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-4,6,8,14,16,18-hexaene-2,12-dione
5,15-dihydroxy-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-4,6,8,14,16,18-hexaene-2,12-dione
(3as,4r,6ar)-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-3a-(hydroxymethyl)-tetrahydrocyclopenta[c]furan-1-one
(3as,4r,6ar)-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-3a-(hydroxymethyl)-tetrahydrocyclopenta[c]furan-1-one
methyl 6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
methyl 6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
10-hydroxy-11,12-dimethoxy-4-(2-oxopropyl)-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one
10-hydroxy-11,12-dimethoxy-4-(2-oxopropyl)-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one
