Exact Mass: 326.0395
Exact Mass Matches: 326.0395
Found 406 metabolites which its exact mass value is equals to given mass value 326.0395,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
TRIPHENYL PHOSPHATE
CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9628; ORIGINAL_PRECURSOR_SCAN_NO 9627 CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9676; ORIGINAL_PRECURSOR_SCAN_NO 9675 CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9722; ORIGINAL_PRECURSOR_SCAN_NO 9720 CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9722; ORIGINAL_PRECURSOR_SCAN_NO 9721 CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9686; ORIGINAL_PRECURSOR_SCAN_NO 9683 CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9737; ORIGINAL_PRECURSOR_SCAN_NO 9735 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3638 CONFIDENCE standard compound; INTERNAL_ID 2464 CONFIDENCE standard compound; INTERNAL_ID 8249 CONFIDENCE standard compound; INTERNAL_ID 8795 CONFIDENCE standard compound; INTERNAL_ID 4175
5-Fluorodeoxyuridine monophosphate
5-Fluorodeoxyuridine monophosphate is a metabolite of floxuridine. Floxuridine (also 5-fluorodeoxyuridine) is an oncology drug that belongs to the class known as antimetabolites. The drug is most often used in the treatment of colorectal cancer. (Wikipedia)
Gliotoxin
Gliotoxin is a pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring; mycotoxin produced by several species of fungi. It has a role as a mycotoxin, an immunosuppressive agent, an EC 2.5.1.58 (protein farnesyltransferase) inhibitor, a proteasome inhibitor and an antifungal agent. It is an organic disulfide, a pyrazinoindole, an organic heterotetracyclic compound and a dipeptide. Gliotoxin is a natural product found in Streptomyces, Aspergillus cejpii, and other organisms with data available. Gliotoxin is a sulfur-containing antibiotic produced by several species of fungi, some of which are pathogens of humans such as Aspergillus, and also by species of Trichoderma, and Penicillium. Gliotoxin possesses immunosuppressive properties as it may suppress and cause apoptosis in certain types of cells of the immune system, including neutrophils, eosinophils, granulocytes, macrophages, and thymocytes. (L1941) A fungal toxin produced by various species of Trichoderma, Gladiocladium fimbriatum, Aspergillus fumigatus, and Penicillium. It is used as an immunosuppressive agent. A pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring; mycotoxin produced by several species of fungi. D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins C308 - Immunotherapeutic Agent > C574 - Immunosuppressant
Dihydrosterigmatocystin
Dihydrosterigmatocystin is a mycotoxin of Aspergillus versicolo
Aldobiouronic acid D3
Aldobiouronic acid D3 is found in cereals and cereal products. Aldobiouronic acid D3 is isolated from partial acid hydrolysates of gum chagual (Puya species) and the hemicelluloses from corn hulls and wheat bran. Isolated from partial acid hydrolysates of gum chagual (Puya subspecies) and the hemicelluloses from corn hulls and wheat bran. Aldobiouronic acid D3 is found in cereals and cereal products.
Fertaric acid
Fertaric acid is a the ester of tartaric acid and the phenolic acid ferulic acid, a type of polyphenol. Polyphenol are secondary plant metabolites and components of grapes, wines and beers. They contribute to the sensory characteristics of wine. Yeast can influence the polyphenolic wine composition by adsorbing them throught its cell wall during wine making. [Caridi 2004]
Atroviridin
Atroviridin is found in fruits. Atroviridin is a constituent of Garcinia atroviridis (gelugor). Constituent of Garcinia atroviridis (gelugor). Atroviridin is found in fruits.
Demethoxykanugin
Demethoxykanugin is isolated from Rhus chinensis (Chinese gall). Isolated from Rhus chinensis (Chinese gall)
O-Demethylforbexanthone
O-Demethylforbexanthone is found in fruits. O-Demethylforbexanthone is a constituent of Rheedia brasiliensis (bakupari) Constituent of Rheedia brasiliensis (bakupari). O-Demethylforbexanthone is found in herbs and spices and fruits.
3-O-alpha-D-Glucopyranuronosyl-D-xylose
3-O-alpha-D-Glucopyranuronosyl-D-xylose is found in cereals and cereal products. 3-O-alpha-D-Glucopyranuronosyl-D-xylose is isolated from hemicellulose hydrolysates, from pear cell-wall xylan, from various wheat-straw preparations and from corn hulls. Isolated from hemicellulose hydrolysates, from pear cell-wall xylan, from various wheat-straw preparations and from corn hulls. 3-O-alpha-D-Glucopyranuronosyl-D-xylose is found in pomes, cereals and cereal products, and fats and oils.
Iberin-N-acetyl-cysteine
(2R)-2-{(1R)-2-Oxo-1-[(2-thienylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Gliotoxin
Glucose lactate acetate
3-[4-Hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]phenyl]prop-2-enoic acid
5'-Fluoro-2'-deoxyuridine monophosphate
Fluorodeoxyuridine monophosphate
Feruloyltartaric acid
Feruloyltartaric acid, also known as trans-fertaric acid or feruloyltartarate, belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Feruloyltartaric acid is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Feruloyltartaric acid can be found in common grape, grape wine, sherry, and vinegar, which makes feruloyltartaric acid a potential biomarker for the consumption of these food products.
Boeravinone A
Boeravinone A is a member of rotenones. boeravinone A is a natural product found in Boerhavia diffusa with data available.
1,11-Dihydroxy-9,10-methylenedioxy-6a,12a-didehydrorotenone
3,5-Dimethoxy-6,7-methylenedioxyflavone
5,7-Dimethoxy-3,4-methylenedioxyflavone
7,8-Dimethoxy-3,4-methylenedioxyflavone
Pyrithiobac
CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4676; ORIGINAL_PRECURSOR_SCAN_NO 4672 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4673; ORIGINAL_PRECURSOR_SCAN_NO 4671 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4704; ORIGINAL_PRECURSOR_SCAN_NO 4702 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4691; ORIGINAL_PRECURSOR_SCAN_NO 4686 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4777; ORIGINAL_PRECURSOR_SCAN_NO 4775 ORIGINAL_ACQUISITION_NO 4777; CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 4775 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4684; ORIGINAL_PRECURSOR_SCAN_NO 4679 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9063; ORIGINAL_PRECURSOR_SCAN_NO 9062 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9090; ORIGINAL_PRECURSOR_SCAN_NO 9088 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9119; ORIGINAL_PRECURSOR_SCAN_NO 9117 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9108; ORIGINAL_PRECURSOR_SCAN_NO 9106 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9136; ORIGINAL_PRECURSOR_SCAN_NO 9132
3,5,7-Ttrihydroxylchromone 3-O-??-D-xylopyranoside
2,2-Dimethyl-5,8,9-trihydroxy-2H,6H-pyrano[3,2-b]xanthen-6-one
3,4,3,4-bis(O,O-methylene)ellagic acid|[1,3]dioxolo[6,7][2]benzopyrano[5,4,3-cde]-1,3-dioxolo[4,5-g][2]benzopyran-5,11-dione
6-hydroxy-2,7,8-trimethoxy-5H-phenanthro[4,5-bcd]pyran-5-one|ochracinanthrone
1,3,5-trihydroxy-13,13-dimethyl-2H-pyran[7,6-b]xanthen-9-one
(2R,2S,4S)-gamma-Glutamylmarasmine|gamma-Glutamylmarasmine
(E)-1-oxo-3,4-dihydro-1H-isochromen-7-yl 3-(3,4-dihydroxyphenyl)acrylate
2,2-Dimethyl-6,10,11-trihydroxy-2,7-dihydropyrano[3,2-c]xanthene-7-one
7,8-dimethoxy-3,4-methylenedioxy-phenanthrene-1-carboxylic acid|demethylaristofolin C
(-)-[(3SR,3aSR,8bSR)-7-bromo-1,2,3,8b-tetrahydro-3,6,8b-trimethyl-3aH-benzo[b]cyclopenta[d]furan-3a-yl]methyl hydroperoxide|laureperoxide
(-)-3-O-galloylshikimic acid|(-)-shikimic acid 3-O-gallate|3-O-galloyl shikimic acid|3-O-galloyl-(-)-shikimic acid|3-O-Galloylshikimic acid|5-O-galloylshikimic acid|shikimic acid 5-O-gallate
3-O-(alpha-D-glucopyranosyluronic acid)-D-xylose|O-alpha-D-Glucuronopyranosyl-(1->3)-D-xylopyranose
rel-(2R,3R)-2-(4-hydroxyphenyl)-4-[(E)-1-(4-hydroxyphenyl)methylidene]-5-oxotetrahydro-3-furancarboxylic acid
4H-1-Benzopyran-4-one, 2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-
2-(1-hydroxy-1-methylethyl)-9-methoxy-1,8-dioxa-dicyclopenta[b,g]naphthalene-4,10-dione
4-O-galloyl-(-)-shikimic acid|4-O-Galloylshikimic acid
3-Acetonyl-1,8-dihydroxy-6-methoxy-anthrachinon|3-acetonyl-1,8-dihydroxy-6-methoxy-anthraquinone|Dermoquinone
5H-Phenanthro(4,5-bcd)pyran-5,9,10-trione, 1,8-dihydroxy-2-methoxy-6-methyl-
4,5-methylenedioxy-7,2-dimethoxyflavone|millettocalyxin A
4,5-dihydroxy-9,10-dioxo-3-propylanthracene-2-carboxylic acid
Tris(1-chloro-2-propyl)phosphate
CONFIDENCE standard compound; INTERNAL_ID 2470 CONFIDENCE standard compound; INTERNAL_ID 8810
6-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-1-PHENYL-2-THIOBIUREA
Dihydrosterigmatocystin
A sterigmatocystin whose skeleton comprises a xanthone ring system ortho-fused to a dihydrofuranofuran moiety.
N-(2-bromophenyl)piperidin-4-amine,dihydrochloride
N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide
METHYL 3-([[3-(TRIFLUOROMETHYL)PHENYL]THIO]METHYL)BENZOATE
3-bromo-4-(4-propan-2-ylpiperazin-1-yl)benzoic acid
3-bromo-4-[(4-ethylpiperazin-1-yl)methyl]benzoic acid
methyl 3-bromo-4-[(3-methylpiperazin-1-yl)methyl]benzoate
2-BROMO-1-[3,5-DI(TERT-BUTYL)-4-HYDROXYPHENYL]ETHAN-1-ONE
1-CYCLOPROPYL-5-AMIDO-6,7,8-TRIFLUORO-1,4-DIHYDRO-4-OXO-3- QUINOLINECARBOXYLIC ACID ETHYL ESTER
4-Boc-7-Bromo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
Pyridinium, 1-[2-oxo-2-(2-pyridinyl)ethyl]-, iodide
(6Z,6Z)-6,6-{1,2-Ethanediylbis[imino(Z)methylylidene]}bis(2,4-c yclohexadien-1-one) - nickel (1:1)
calcium; (E)-4-ethoxy-4-oxo-but-2-enoic acid; hydrogen(-1) anion
5-chloro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
N-(5-CHLORO-2-METHYL-4-NITROPHENYL)-BENZENESULFONAMIDE
3-[(4μ-Chloro-1-naphthyloxy)methyl]phenylboronic acid
Silane, [(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy](1,1-dimethylethyl)dimethyl-
ethyl 2-[5,6-dichloro-2-(cyanoamino)-4H-quinazolin-3-yl]acetate
p-[[(4-chlorobutyl)sulphonyl]amino]benzenesulphonamide
tert-Butyl (6-bromofuro[3,2-b]pyridin-2-yl)methylcarbamate
6-Chloro-9-beta-D-(2,3-isopropylidene)ribofuranosylpurine
[4-(6-acetyloxy-1-benzothiophen-2-yl)phenyl] acetate
1-chloro-4-(diethoxyphosphorylsulfanylmethylsulfanyl)benzene
2-(2-Anilinovinyl)-3-(3-sulfopropyl)-2-thiazolinium inner salt
4-(4-ISOBUTYLPHENYL)-5-METHYL-1,3-THIAZOL-2-AMINE HYDROBROMIDE
2-Boc-5-bromo-1,2,3,4-tetrahydroisoquinolin-8-amine
3-(2-BROMO-PHENYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(3-BROMO-PHENYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(4-BROMO-PHENYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-CHLORO-2-[2-PHENYLVINYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE
4,6-DIPHENYLTHIENO[3,4-D]-1,3-DIOXOL-2-ONE 5,5-DIOXIDE
2-IODOMETHYL-CYCLOPROPANE-1,1-DICARBOXYLIC ACID DIETHYL ESTER
3-(4-Bromophenyl)-1-Phenyl-1H-Pyrazole-4-Carbaldehyde
2-(4-(2-Bromoethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(3-(2-Bromoethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(6-Bromobenzo[d][1,3]dioxol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(3-Bromo-5-ethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-CHLORO-N-{4-[(PYRIMIDIN-2-YLAMINO)SULFONYL]PHENYL}ACETAMIDE
4-Chloro-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]py ridine-5-carboxylic acid
Dimethyl [2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate
4-Bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyr idine
5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazole-3-carboxylic acid
ethyl 1-(3,4-dichlorophenyl)-4,5-dihydrofuro[2,3-c]pyrazole-3-carboxylate
2-(4-BROMOBUTYL)-5-NITRO-1H-ISOINDOLE-1,3(2H)-DIONE
METHYL 4-(TRIFLUOROMETHYL)-6-(THIOPHEN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE-2-CARBOXYLATE
7-(4-methylsulfanylphenyl)-5-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
N,N-Dinitroso-p-phenylenediamine-N,N-diacetic Acid
Poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate)
p-Nitrophenyl 2-Azido-2-deoxy-a-D-galactopyranoside
Methyl 5-broMo-2-(2-Methoxy-2-oxoethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
Methyl 6-broMo-2-(2-Methoxy-2-oxoethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
ethyl 2-(aMinoMethyl)-6-broMo-5-hydroxy-1-Methyl-1H-indole-3-carboxylate
N-(6-iodoquinolin-4-yl)diazenyl-N-methyl-methanamine
Methyl 2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane-2-carboxylate
5,7-bis(trifluoromethyl)-3-cyano-2-(methylthio)pyrazolo[1,5-a]pyrimidine
(2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid
2-[[(4-Chlorophenyl)sulfonyl](2-pyridinyl)amino]acetic acid
4-(1-Methyltetrazol-5-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine
4-[[(2-Methyl-1,3-benzothiazol-6-yl)-oxomethyl]amino]benzoic acid methyl ester
4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide
(2S)-2-(4-(2,4-Dichlorophenoxy)phenoxy)propanoic acid
4-(2,6-Dichlorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine
2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide
2-[(4-Chlorophenyl)methyl]-4-(prop-2-enylthio)quinazoline
5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid
5-(1,3-benzodioxol-5-yl)-3-[3-(methylthio)phenyl]-1H-imidazol-2-one
4-(Aminosulfonyl)-N-[(2,4-difluorophenyl)methyl]-benzamide
4-(Aminosulfonyl)-N-[(2,5-difluorophenyl)methyl]-benzamide
(2R)-2-{(1R)-2-Oxo-1-[(2-thienylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
10H-3,10a-Epidithiopyrazino[1,2-a]indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-, [3R-(3alpha,5abeta,6beta,10aalpha)]-
7,9-Dimethoxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one
(7S,8S)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione
2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxylate
(2S,3R,4S,5R)-3,5,6-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
[5-(2,4-Dioxopyrimidin-1-yl)-5-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
[[5-(2,4-Dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-fluoromethyl] dihydrogen phosphate
[2-[2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetyl] 2-hydroxypropaneperoxoate
2-[2-oxo-1-[(2-thiophen-2-ylacetyl)amino]ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
3-[4-Hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]phenyl]prop-2-enoic acid
1-(4-Methoxyphenyl)-3-[(2-oxo-3-indolyl)amino]thiourea
2-(4-Benzofuro[3,2-d]pyrimidinylthio)-1-thiophen-2-ylethanone
6-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-4-(trifluoromethyl)pyrimidin-2(1H)-one
(2S,3S)-trans-fertaric acid
A cinnamate ester obtained by formal condensation of the carboxy group of trans-ferulic acid with one of the hydroxy groups of D-tartaric acid.
2-Chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine
1-Methyl-4-[(4-methylphenyl)thio]-3-nitro-2-quinolinone
4-{[(E)-3-Mercapto-5-phenyl-[1,2,4]triazol-4-ylimino]-methyl}-2-methoxy-phenol
3-Chloro-1-(2-chlorophenyl)-4-(4-morpholinyl)pyrrole-2,5-dione
[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid
N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-furancarboxamide
1-(Phenylmethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
4-[2,3,5,6-Tetrafluoro-4-(1-propen-1-yl)phenoxy]benzoic acid
(5E)-5-benzylidene-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one
3-(4-Fluorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
N-(3-cyano-2-thiophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
4-(2,5-Dimethylfuran-3-yl)-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,11(15)-tetraen-7-one
3-[[[5-(Phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid
4-methoxy-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-quinolinamine
1,1-Difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonic acid
(2R,3R)-cis-fertaric acid
A cinnamate ester obtained by formal condensation of the carboxy group of cis-ferulic acid with one of the hydroxy groups of L-tartaric acid.
(2S,3S)-cis-fertaric acid
A cinnamate ester obtained by formal condensation of the carboxy group of cis-ferulic acid with one of the hydroxy groups of D-tartaric acid.
[(E)-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethylideneamino] 4-(trifluoromethyl)benzoate
(3E)-3-[[4-(Methylamino)-3-nitrophenyl]methylidene]thiochromen-4-one
1-(3,4-Dihydroxyphenyl)-3-(4-methoxy-1-benzofuran-5-yl)propane-1,3-dione
2-[(2E)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]azaniumyl-4-hydroxy-4-oxobutanoate
2-(1,3-Benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile
2-(6-Carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-3-hydroxybutanedioic acid
[1-(7-Hydroxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl] hydrogen sulate
4,5-Dihydroxy-9,10-dioxo-3-propylanthracene-2-carboxylic acid
[(1R,12R)-6,8,11,19-tetraoxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),13(18),14,16-hexaen-16-yl] acetate
2-[(2-Benzothiazolyl)azo]-4-(dimethylamino)benzoic acid
(2R,3R)-trans-fertaric acid
A cinnamate ester obtained by formal condensation of the carboxy group of trans-ferulic acid with one of the hydroxy groups of L-tartaric acid.
acetaminophen O-beta-D-glucosiduronate
A beta-D-glucosiduronate that is the conjugate base of acetaminophen O-beta-D-glucosiduronic acid, obtained by deprotonation of the carboxy group.
2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
(2-methylpropoxy)[(2-{[(2-methylpropoxy)methanethioyl]sulfanyl}ethyl)sulfanyl]methanethione
3a-chloro-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-tetrahydrocyclopenta[c]furan-1-one
(3r,5as,6s,10ar)-6-hydroxy-2-methyl-3,10a-bis(methylsulfanyl)-3h,5ah,6h,10h-pyrazino[1,2-a]indole-1,4-dione
(1s,2r,3r)-1,2,6,7-tetrahydroxy-3-methyl-1h,2h,3h-cyclohexa[a]fluorene-4,11-dione
6,9,11-trihydroxy-2,2-dimethyl-1,5-dioxatetraphen-10-one
3,5,10,13,15,20-hexaoxahexacyclo[9.9.2.0²,⁶.0⁸,²¹.0¹²,¹⁶.0¹⁸,²²]docosa-1(21),2(6),7,11(22),12(16),17-hexaene-9,19-dione
15-hydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
methyl 8-hydroxy-9-oxo-6-(2-oxopropyl)xanthene-1-carboxylate
methyl 7-hydroxy-2-(4-methoxyphenyl)-4-oxochromene-5-carboxylate
5,10-dihydroxy-4-(hydroxymethyl)-1h-anthra[1,2-c]furan-3,6,11-trione
(1s,13s)-17-methoxy-5,7,11,14-tetraoxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaen-21-one
1,3,5-trihydroxy-13,13-dimethyl-2h-pyran[6,7-b]-xanthen-9-one
{"Ingredient_id": "HBIN001061","Ingredient_name": "1,3,5-trihydroxy-13,13-dimethyl-2h-pyran[6,7-b]-xanthen-9-one","Alias": "NA","Ingredient_formula": "C18H14O6","Ingredient_Smile": "CC1(C=CC2=C(O1)C(=C3C(=C2)C(=O)C4=C(C=C(C=C4O3)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21707","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3',4'-methylenedi oxy-6,7-dimethoxyflavone
{"Ingredient_id": "HBIN007500","Ingredient_name": "3',4'-methylenedi oxy-6,7-dimethoxyflavone","Alias": "NA","Ingredient_formula": "C18H14O6","Ingredient_Smile": "COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC4=C(C=C3OC)OCO4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14356","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,5,7-ttrihydroxylchromone 3-o-β-d-xylopyra-noside
{"Ingredient_id": "HBIN007586","Ingredient_name": "3,5,7-ttrihydroxylchromone 3-o-\u03b2-d-xylopyra-noside","Alias": "NA","Ingredient_formula": "C14H14O9","Ingredient_Smile": "C1C(C(C(C(O1)OC2=COC3=CC(=CC(=C3C2=O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "22055","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
