Exact Mass: 332.0194
Exact Mass Matches: 332.0194
Found 285 metabolites which its exact mass value is equals to given mass value 332.0194,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
dIMP
dIMP is a deoxyribonucleoside and is considered a derivative of the nucleoside inosine, differing from the latter by the replacement of a hydroxyl group (-OH) by hydrogen (-H) at the 2 position of its ribose sugar moiety. The hydrolytic deamination of dAMP residues in DNA yields dIMP residues. The deamination of adenine residues in DNA generates hypoxanthine, which is mutagenic since it can pair not only with thymine but also with cytosine and therefore would result in A-T to G-C transitions after DNA replication. Hypoxanthine DNA glycosylase (EC 3.2.2.15) excises hypoxanthine from DNA containing dIMP residues in mammalian cells. (PMID: 10684927, 8016081) [HMDB] dIMP is a deoxyribonucleoside and is considered a derivative of the nucleoside inosine, differing from the latter by the replacement of a hydroxyl group (-OH) by hydrogen (-H) at the 2 position of its ribose sugar moiety. The hydrolytic deamination of dAMP residues in DNA yields dIMP residues. The deamination of adenine residues in DNA generates hypoxanthine, which is mutagenic since it can pair not only with thymine but also with cytosine and therefore would result in A-T to G-C transitions after DNA replication. Hypoxanthine DNA glycosylase (EC 3.2.2.15) excises hypoxanthine from DNA containing dIMP residues in mammalian cells. (PMID: 10684927, 8016081). Acquisition and generation of the data is financially supported in part by CREST/JST. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Laricitrin
Laricitrin, also known as 3-O-methylmyricetin or 3,4,5,5,7-pentahydroxy-3-methoxyflavone, belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Thus, laricitrin is considered to be a flavonoid lipid molecule. Laricitrin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. BioTransformer predicts that laricitrin is a product of isorhamnetin metabolism via a hydroxylation-of-benzene-ortho-to-edg reaction catalyzed by the CYP1A2, CYP2C8, CYP2C9, and CYP3A4 enzymes (PMID: 30612223).
Patuletin
Pigment from flowers of French marigold Tagetes patula. Patuletin is found in german camomile, herbs and spices, and spinach. Patuletin is found in german camomile. Patuletin is a pigment from flowers of French marigold Tagetes patul D004791 - Enzyme Inhibitors
NIDIFIDIENOL
Rhodolaureol
Sulfadimethoxine sodium
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent
Fluorescein
A phthalic indicator dye that appears yellow-green in normal tear film and bright green in a more alkaline medium, such as the aqueous humor, and is used therapeutically as a diagnostic aid in corneal injuries and corneal trauma. It has been approved by FDA for use in externally applied drugs and cosmetics. (From Merck Index, 12th ed; American Medical Association Drug Evaluations; 1995, p2275) S - Sensory organs > S01 - Ophthalmologicals > S01J - Diagnostic agents > S01JA - Colouring agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins
4',5,6,7,8-Pentahydroxy-3'-methoxyflavone
Aglycone from Artemisia dracunculus (tarragon). 4,5,6,7,8-Pentahydroxy-3-methoxyflavone is found in herbs and spices. 4,5,6,7,8-Pentahydroxy-3-methoxyflavone is found in herbs and spices. Aglycone from Artemisia dracunculus (tarragon).
1,2-Benzisothiazole-2(3H)-acetamide, N-(4-hydroxyphenyl)-3-oxo-, 1,1-dioxide
Glucocapparin
3-Hydroxyphenylacetylglutamine sulfate
(5E)-5-[(6-bromo-1H-indol-3-yl)methylidene]-2-imino-1,3-dimethylimidazolidin-4-one
Quercetagetin 3-methyl ether
Laricitrin
A monomethoxyflavone that is the 3-O-methyl derivative of myricetin.
4-{2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl}pyrimidin-2-amine
O1-(2,2-Dimethylpropanoyl)-2-[(4-chlorophenyl)sulfonyl]ethanehydroximamide
2-[2-hydroxyimino-2-(4-nitrophenyl)ethyl]sulfanylbenzoic Acid
1, 3-Di-Me ether-2-Chloro-1, 3, 8-trihydroxy-6-methylanthraquinone
1,3,4,5,8-pentahydroxy-7-methoxy-2-methylanthraquinone
1-Me ether-1,2,4,5,6,7-Hexahydroxy-3-methylanthraquinone
(9R)-2-bromo-3-chloro-6,9-epoxybisabola-7(14),10-diene
2-(2,6-Dihydroxy-4-methoxyphenyl)-5,6-dihydroxybenzofuran-3-carboxylic acid
4,2,3,4-tetrahydroxy-6,7-methylenedioxyisoflavonol
O1-(4-Chlor-3,5-dimethyl-phenyl)-beta-D-glucopyranuronsaeure|O1-(4-chloro-3,5-dimethyl-phenyl)-beta-D-glucopyranuronic acid
2-(penta-1,3-diyn-1-yl)-5-[4-(2-methylbutyryloxy)-3-chloro-but-1-yn-1l]-thiophene|2--5-<4-(2-methylbutyryloxy)-3-chloro-but-1-yn-1l>-thiophene
(Z)-4-((6-bromo-1H-indol-3-yl)methylene)-1-methyl-2-(methylamino)-1H-imidazol-5(4H)-one|(Z)-5-<(6-bromo-1H-indol-3-yl)methylidene>-3,5-dihydro-3-methyl-2-(methylamino)-4H-imidazol-4-one|(Z)-5-[(6-bromo-1H-indol-3-yl)methylidene]-3,5-dihydro-3-methyl-2-(methylamino)-4H-imidazol-4-one
Brivudine
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent C471 - Enzyme Inhibitor relative retention time with respect to 9-anthracene Carboxylic Acid is 0.528 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.524 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.522 Brivudine is a thymidine analogue with antiviral activity, indicated for the early treatment of acute herpes zoster.
3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one
2-(2,6-dihydroxy-4-methoxycarbonylbenzoyl)-3-hydroxybenzoic acid
3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one
3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one [IIN-based on: CCMSLIB00000848472]
3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one [IIN-based: Match]
fluorescein
S - Sensory organs > S01 - Ophthalmologicals > S01J - Diagnostic agents > S01JA - Colouring agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins CONFIDENCE standard compound; INTERNAL_ID 788; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4072; ORIGINAL_PRECURSOR_SCAN_NO 4070 CONFIDENCE standard compound; INTERNAL_ID 788; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3808; ORIGINAL_PRECURSOR_SCAN_NO 3807 CONFIDENCE standard compound; INTERNAL_ID 788; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4061; ORIGINAL_PRECURSOR_SCAN_NO 4059 CONFIDENCE standard compound; INTERNAL_ID 788; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4073; ORIGINAL_PRECURSOR_SCAN_NO 4068 CONFIDENCE standard compound; INTERNAL_ID 788; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3806; ORIGINAL_PRECURSOR_SCAN_NO 3804 CONFIDENCE standard compound; INTERNAL_ID 788; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3799; ORIGINAL_PRECURSOR_SCAN_NO 3797 CONFIDENCE standard compound; INTERNAL_ID 788; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8283; ORIGINAL_PRECURSOR_SCAN_NO 8281 CONFIDENCE standard compound; INTERNAL_ID 788; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8291; ORIGINAL_PRECURSOR_SCAN_NO 8289 CONFIDENCE standard compound; INTERNAL_ID 788; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8318; ORIGINAL_PRECURSOR_SCAN_NO 8316 CONFIDENCE standard compound; INTERNAL_ID 788; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8336; ORIGINAL_PRECURSOR_SCAN_NO 8335 CONFIDENCE standard compound; INTERNAL_ID 788; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8351; ORIGINAL_PRECURSOR_SCAN_NO 8349 CONFIDENCE standard compound; INTERNAL_ID 788; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8331; ORIGINAL_PRECURSOR_SCAN_NO 8329
2-(2,6-dihydroxy-4-methoxycarbonylbenzoyl)-3-hydroxybenzoic acid_major
2-(4-chlorophenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one
2,5-Bis(2,2,2-trifluoroethoxy)benzoic acid hydrazide
(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-methylphenyl)methanone
(2E)-3-[6-Chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acr ylic acid
1-(2-chloro-6-methyl-4-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid
1-(4-((5-BROMO-2-HYDROXYBENZYLIDENE)AMINO)PHENYL)ETHANONE OXIME
3-AMINO-3-[5-(2-CHLORO-5-TRIFLUOROMETHYL-PHENYL)-FURAN-2-YL]-PROPIONIC ACID AMIDE
Methyl 5-(benzyloxy)-3-chlorobenzo[b]thiophene-2-carboxylate
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-phenylethanone
CYCLOPENTADIENYLDICARBONYL(TETRAHYDROFURAN)IRON(II) TETRAFLUOROBORATE
1-(3-bromo-benzenesulfonyl)-4-methyl-[1,4]diazepane
N-(5-iodo-3-methylpyridin-2-yl)-N,2,2-trimethylpropanamide
2,6-diamino-4-(4-bromophenyl)-4H-thiopyran-3,5-dicarbonitrile
N-Methyl-3-(phenylthio)-1H-indole-5-methanesulfonamide
3,6-bis[(4-chlorophenyl)methyl]-1,4-dihydro-1,2,4,5-tetrazine
4-BROMO-N-(2-(PYRROLIDIN-1-YL)ETHYL)BENZENESULFONAMIDE
2,6-diamino-4-(2-bromophenyl)-4H-thiopyran-3,5-dicarbonitrile
2-(2-BROMO-PHENYL)-2,3-DIHYDRO-BENZOFURAN-5-CARBOXYLIC ACID METHYL ESTER
ETHYL 2-AMINO-4-(4-(TRIFLUOROMETHOXY)PHENYL)THIAZOLE-5-CARBOXYLATE
4-(dimethylamino)-1-(trifluoroacetyl)-pyridinium trifluoroacetate
1-PHENYL-4(3,5-DICHLORO-2-HYDROXYBENZOYL)-PYRAZOLE
N1-(2,6-DICHLORO-4-PYRIDYL)-2-(2,4-DIFLUOROPHENYL)HYDRAZINE-1-CARBOXAMIDE
5-(2-bromopyridin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
Perfluoro(2-methyl-3-oxahexanoyl) fluoride,(Hexafluoropropen oxide dimer)
2-ETHOXY-5-[(PYRROLIDINE-1-CARBONYL)-AMINO]-BENZENESULFONYL CHLORIDE
1H,1H,5H-Perfluoropentyl-1,1,2,2-tetrafluoroethylether
2,3,4,5,5,5-HEXAFLUORO-2,4-BIS(TRIFLUOROMETHYL)-1-PENTANOL
1-(3-bromo-4-methyphenylsulfonyl)-4-methylpiperazine
2,5-Bis[(trimethylsilyl)ethynyl]thieno[3,2-b]thiophene
2-CHLORO-4-[(2-CHLORO-2-PHENYLETHYL)SULFONYL]-1-FLUOROBENZENE
METHYL 4-CHLORO-6-OXO-1-(3-(TRIFLUOROMETHYL)PHENYL)-1,6-DIHYDROPYRIDAZINE-3-CARBOXYLATE
4-CHLORO-[4-(1,1,2,2-TETRAFLUOROETHOXY)]BENZOPHENONE
2,2,2-Trifluoro-1,1-bis(trifluoromethyl)ethyl=trifluoroacetate
5-(4-Chloro-phenyl)-4-(2,6-difluoro-phenyl)-6-methyl-pyridazin-3-ol
METHYL 5-CYANO-6-(2,2-DIFLUOROETHYLTHIO)-2-(DIMETHOXYMETHYL)NICOTINATE
ethyl [bis(2,2,2-trifluoroethoxy)phosphinyl]acetate
1-(2,4-Difluorophenyl)-3-[4-(2-pyridinyl)-2-thiazolyl]urea
3-(3,3-Dichloro-2-hydroxypropyl)-6,8-dimethoxy-1H-2-benzopyran-1-one
2-Chloro-N-[(1r,2r)-1-Hydroxy-2,3-Dihydro-1h-Inden-2-Yl]-6h-Thieno[2,3-B]pyrrole-5-Carboxamide
2-Chloro-1-hydroxy-3,8-dimethoxy-6-methylanthraquinone
2-O-(alpha-D-glucopyranosyl)-sn-glycerol 3-phosphate
2-(alpha-D-galactosyl)-sn-glycerol 3-phosphate(2-)
2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins
[(E)-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylideneamino] sulfate
methyl (2E)-2-{5-[(E)-(2-chlorophenyl)diazenyl]-2-hydroxybenzylidene}hydrazinecarboxylate
5-(1,3-Benzodioxol-5-yl)-2-[(2-chloro-6-fluorophenyl)methyl]tetrazole
2-[[5-(2,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid ethyl ester
3-(4-Chlorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
4-bromo-N-[(4-methylbenzoyl)oxy]benzenecarboximidamide
5-[(2E)-2-[1-(1,3-Benzodioxol-5-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid
1-(2-Fluorophenyl)-3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea
N-[(3-acetylphenyl)carbamothioyl]-3-chlorobenzamide
N-[(4-fluoroanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
4-Bromo-6-[5-(2-fluorophenyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide
4-chloro-N-[(phenacylamino)-sulfanylidenemethyl]benzamide
4-bromo-N-{[(3-methylphenyl)carbonyl]oxy}benzenecarboximidamide
8-Aza-2-deoxyadenosine 5-monophosphate
A 2-deoxyribonucleoside 5-monophosphate that is the 8-aza analogue of 2-deoxyadenosine 5-monophosphate.
N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]-4-morpholinecarboxamide
N-[4-(4-chlorophenyl)-3,5-dimethyl-2-thiazolylidene]-2-furancarboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-4-nitro-3-isoxazolecarboxamide
5-[(2-fluorophenoxy)methyl]-N-(4-methyl-2-thiazolyl)-2-furancarboxamide
4-[(1-Methyl-5-tetrazolyl)thio]-5-(3-thiophenyl)thieno[2,3-d]pyrimidine
3-{[1-(4-chlorophenylsulfonyl)oxy]ethyl}-5,5-dimethyldihydro-2(3H)-furanone
1-S-[(1Z)-N-(sulfonatooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose
(5E)-5-[[2-[(4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
5-[(E)-2-bromoethenyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
2-Deoxyinosine 5-monophosphate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2S,3S,4aR,6R,7S)-6-Bromo-3-chloro-2,5,5-trimethyl-3,4,5,6,7,8-hexahydro-2H-2,4a-ethanonaphthalen-7-ol
7-O-methylmyricetin
A monomethoxyflavone that is myricetin in which the hydroxy group at position 7 is substituted by a methoxy group.
2-Deoxyinosine-5-monophosphate
A deoxyinosine phosphate that is 5-inosinic acid in which the hydroxy group at position 2 by a hydrogen atom.
glucocapparin(1-)
An alkylglucosinolate that is the conjugate base of glucocapparin.
CCI-006
CCI-006 is a selective inhibitor and chemosensitizer of MLL-rearranged leukemia cells, by inhibits mitochondrial respiration resulting in insurmountable mitochondrial depolarization and a pro-apoptotic unfolded protein response (UPR) in a subset of MLL-r leukemia cells[1].
2-(2,6-dihydroxy-4-methoxyphenyl)-5,6-dihydroxy-1-benzofuran-3-carboxylic acid
methyl 3,4,8-trihydroxy-6-methoxy-9-oxoxanthene-1-carboxylate
(1s,3s,4s,6r)-4-bromo-3-chloro-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-8-en-1-ol
5-{[(3z)-6-bromoindol-3-ylidene]methyl}-2-imino-1,3-dimethylimidazol-4-ol
methyl 10,11-dihydroxy-4-methyl-1,5-dioxooxepino[4,3-b]chromene-5a-carboxylate
(2r,3s,6s)-2-bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-ol
(2r,5r,7s,8s)-7-bromo-8-chloro-8-methyl-4-methylidene-2-(2-methylprop-1-en-1-yl)-1-oxaspiro[4.5]decane
(2r,4'r)-4,4',6,6',7'-pentahydroxy-1',4'-dihydrospiro[1-benzofuran-2,3'-[2]benzopyran]-3-one
4-{6,8-dihydroxy-2h,8h-[1,3]dioxolo[4,5-g]chromen-7-yl}benzene-1,2,3-triol
5-methylmyricetin
{"Ingredient_id": "HBIN011815","Ingredient_name": "5-methylmyricetin","Alias": "NA","Ingredient_formula": "C16H12O8","Ingredient_Smile": "COC1=C2C(=CC(=C1)O)OC(=C(C2=O)O)C3=CC(=C(C(=C3)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14601","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
