Exact Mass: 296.1013
Exact Mass Matches: 296.1013
Found 265 metabolites which its exact mass value is equals to given mass value 296.1013,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
4-Nitrophenyl-3-ketovalidamine
Calophyllin B
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 5 and a prenyl group at position 6.
4'-Hydroxy-R-phenprocoumon
4-Hydroxy-R-phenprocoumon is a metabolite of phenprocoumon. Phenprocoumon (marketed under the brand names Marcoumar, Marcumar and Falithrom) is an anticoagulant drug, a derivative of coumarin. It is a vitamin K antagonist that inhibits coagulation by blocking synthesis of coagulation factors II, VII, IX and X. It is used for the prophylaxis and treatment of thromboembolic disorders. Phenprocoumon is a 4-hydroxycoumarin and inhibits inhibits vitamin K epoxide reductase. (Wikipedia)
1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one
1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one is found in herbs and spices. 1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one is a constituent of the rhizomes of Curcuma domestica (turmeric). Constituent of the rhizomes of Curcuma domestica (turmeric). 1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one is found in herbs and spices.
8-Hydroxy-R-phenprocoumon
8-Hydroxy-R-phenprocoumon is a metabolite of phenprocoumon. Phenprocoumon (marketed under the brand names Marcoumar, Marcumar and Falithrom) is an anticoagulant drug, a derivative of coumarin. It is a vitamin K antagonist that inhibits coagulation by blocking synthesis of coagulation factors II, VII, IX and X. It is used for the prophylaxis and treatment of thromboembolic disorders. Phenprocoumon is a 4-hydroxycoumarin and inhibits inhibits vitamin K epoxide reductase. (Wikipedia)
Dimethylstrobochrysin
Dimethylstrobochrysin is found in tea. Dimethylstrobochrysin is a constituent of Leptospermum scoparium (red tea). Constituent of Leptospermum scoparium (red tea). Dimethylstrobochrysin is found in tea.
6-Hydroxy-R-phenprocoumon
6-Hydroxy-R-phenprocoumon is a metabolite of phenprocoumon. Phenprocoumon (marketed under the brand names Marcoumar, Marcumar and Falithrom) is an anticoagulant drug, a derivative of coumarin. It is a vitamin K antagonist that inhibits coagulation by blocking synthesis of coagulation factors II, VII, IX and X. It is used for the prophylaxis and treatment of thromboembolic disorders. Phenprocoumon is a 4-hydroxycoumarin and inhibits inhibits vitamin K epoxide reductase. (Wikipedia)
7-Hydroxy-R-phenprocoumon
7-Hydroxy-R-phenprocoumon is a metabolite of phenprocoumon. Phenprocoumon (marketed under the brand names Marcoumar, Marcumar and Falithrom) is an anticoagulant drug, a derivative of coumarin. It is a vitamin K antagonist that inhibits coagulation by blocking synthesis of coagulation factors II, VII, IX and X. It is used for the prophylaxis and treatment of thromboembolic disorders. Phenprocoumon is a 4-hydroxycoumarin and inhibits inhibits vitamin K epoxide reductase. (Wikipedia)
Desmosflavone
Desmosflavone is found in tea. Desmosflavone is a constituent of Leptospermum scoparium (red tea). Constituent of Leptospermum scoparium (red tea). Desmosflavone is found in tea.
Demethoxyegonol
Demethoxyegonol is found in mushrooms. Demethoxyegonol is produced by Laetiporus sulphureus var. miniatu
Tyrosyl-Aspartate
Tyrosyl-Aspartate is a dipeptide composed of tyrosine and aspartate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Aspartyl-Tyrosine
Aspartyl-Tyrosine is a dipeptide composed of aspartate and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
DHAP(8:0)
DHAP(8:0) is the octanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by octanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts. [HMDB] DHAP(8:0) is the octanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by octanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts.
1-iodo-2-methylundecane
1-iodo-2-methylundecane is classified as a member of the Organoiodides. Organoiodides are compounds containing a chemical bond between a carbon atom and an iodine atom
Bentazepam
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
gamma-Aminobutyric acid-betaxanthin
4-[(2S,3R)-3-Methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol
4-[(2S,3S)-3-Methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol
6-ethoxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one
Danshenxinkun A
Danshenxinkun A is a natural compound that could be isolated from Tanshen and is used in the study for heart diseases[1]. Danshenxinkun A is a natural compound that could be isolated from Tanshen and is used in the study for heart diseases[1].
[(2E)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-yl] 3-methylbut-2-enoate
7-hydroxy-5-methoxy-6,8-dimethylflavone
A monohydroxyflavone that is flavone substituted by a hydroxy group at position 7, a methoxy group at position 5 and methyl groups at positions 6 and 8. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.
[1,4-bis(4-hydroxyphenyl)-2,3-dimethyl-2-butene-1,4-dione]
Me glycoside, Me ester-3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid, 9CI
7-[2-(4-carboxybuta-1,3-dienyl)phenyl]hepta-2,4,6-trienoic acid
(7S,8R)-2,4-dihydroxy-7,3-epoxy-8,4-oxyneolign-7-yne|4-[(2S,3R)-3-Methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol
4-O-beta-D-Glucopyranosyl-D-xylose|Pyranose-4-O-beta-D-Glucopyranosyl-D-xylose
2-(4-Hydroxy-2-methoxyphenyl)-5-(3-hydroxy-(E)-1-propen-1-yl)benzofuran|2-(4-Hydroxy-2-methoxyphenyl)-5-<3-hydroxy-(E)-1-propen-1-yl>benzofuran
(3E)-2,3-dihydro-7-methoxy-3-[(4-methoxyphenyl)-methylene]-4H-1-benzopyran-4-one|(E)-7-methoxy-3-(4-methoxybenzylidene)chroman-4-one|7-methoxy-3-(4-methoxybenzylidene)chroman-4-one|7-methoxy-3-(4-methoxy-benzylidene)-chroman-4-one|7-methoxy-bonducellin|7-O-methyl-bonducellin|7-O-methylbonducellin
Me glycoside-alpha-Pyranose-2-O-beta-D-Xylopyranosyl-D-xylose|Me glycoside-alpha-Pyranose-2-O-beta-D-Xylopyranosyl-L-arabinose|Me glycoside-beta-Pyranose-2-O-beta-D-Xylopyranosyl-L-arabinose
3,8-Dimethoxy-5H-benzo[3,4]cyclohepta[1,2-f][1,3]benzodioxole
3,4-dideoxy-5-O-alpha-D-galactopyranosyl-pentonic acid
(E)-2-(2,4-dihydroxyphenyl)-7-methoxy-5-(1-propenyl)benzofuran|2-Hydroxy,7-Methoxy-2-(4-Hydroxyphenyl)-5-(1-propenyl)-benzofuran|2-(2,4-dihydroxyphenyl)-7-methoxy-5-(E)-propenylbenzofuran
2-ethyl-1-hydroxy-8-methoxy-3-methyl-9,10-anthraquinone|2-ethyl-1-hydroxy-8-methoxy-3-methylanthraquinone
(S)-methyl 2-(4-oxo-2-phenylchroman-5-yl)acetate|cryptogione B
2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromone|quinanone A
2-(3-Methoxy-4-hydroxyphenethyl)-4H-1-benzopyran-4-one
2-(2-Hydroxy-4-methoxyphenethyl)-4H-1-benzopyran-4-one
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 3-phenyl-2-propenyl ester
Di-Me ether-2,7-Dihydroxy-1,6-dimethyl-9,10-anthraquinone
Me glycoside-beta-Pyranose-3-O-beta-D-Xylopyranosyl-D-xylose
2-(2,6-dihydroxy-4-methoxyphenyl)-5-(E)-propenylbenzofuran
6-hydroxy-3,3-dimethyl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-12-one|Cordato-oblonguxanthon
(+)-morrisonicolanin|(E)-3-[(2S,3R)-2,3-dihydro-2-(4-hydroxyphenyl)-3-hydroxymethyl-1-benzo[b]furan-5-yl]-2-propenal
2-O-alpha-Rhamnopyranosyl-L-arabinose|alpha-Pyranose-2-O-alpha-Rhamnopyranosyl-L-arabinose|beta-Pyranose-2-O-alpha-Rhamnopyranosyl-L-arabinose
2-(2-hydroxy-4-methoxyphenyl)-5-(3-hydroxy-(E)-1-propen-1-yl)benzofuran|2-(2-Hydroxy-4-methoxyphenyl)-5-(3-hydroxy-1-propenyl)benzofuran|2-(2-hydroxy-4-methoxyphenyl)-5-<3-hydroxy-(E)-1-propen-1-yl>benzofuran
6-Ethoxy-3(4-hydroxyphenyl)-4-methylcoumarin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.172 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.170
methyl 2-[(3-formamido-2-hydroxybenzoyl)amino]-3-hydroxybutanoate
OCP_297.1002_16.5
CONFIDENCE Identification confirmed with Reference Standard (Level 1); INTERNAL_ID 1302
[(2E)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-yl] 3-methylbut-2-enoate_major
Asp-tyr
A dipeptide composed of L-aspartic acid and L-tyrosine joined by a peptide linkage.
1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one
3-(Dimethylamino)-1-(10H-phenothiazin-2-yl)-2-propen-1-one
5-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)-2-FLUOROBENZONITRILE
Methyl 2-(tert-Butoxycarbonylamino)-3-nitrobenzoate
Benzenepropanoic acid, a-benzoyl-b-oxo-, ethyl ester
1-(5-Aminopentyl)-1H-pyrrole-2,5-dione 2,2,2-trifluoroacetate
[[4-(4-diazonioimino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-ylidene]hydrazinylidene]azanide
3-(4-METHOXYPHENYL)-5-METHYLTHIO-1-PHENYL-1H-PYRAZOLE
trimethoxy-[2-(trimethoxysilylmethyl)prop-2-enyl]silane
(3-Chloro-4-Methoxycarbonyl)Benzeneboronic Acid Pinacol Ester
2-(BIPHENYL-4-CARBONYL)-3-OXO-BUTYRICACIDMETHYLESTER
methyl 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
2-Butenedioic acid(2E)-, 1,4-bis(phenylmethyl) ester
5-(3,4-DIMETHOXYBENZYL)PYRIMIDINE-2,4-DIAMINE HYDROCHLORIDE
Propanedioic acid,2-[2-(phenylthio)ethyl]-, 1,3-diethyl ester
5-(4-METHOXYPHENYL)-3-METHYLTHIO-1-PHENYL-1H-PYRAZOLE
tert-butoxycarbonylamino-(4-nitro-phenyl)-acetic acid
4-((3-AMINOBENZO[E][1,2,4]TRIAZIN-7-YL)OXY)-N-METHYLPICOLINAMIDE
3-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)-5-FLUOROBENZONITRILE
2-(4-(TERT-BUTOXYCARBONYLAMINO)-2-NITROPHENYL)ACETIC ACID
Bermoprofen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
1-(2,7-Dimethyl-3-imidazo[1,2-a]pyridinyl)-2-(phenylthio)ethanone
4-(4-(2-Chlorophenyl)-1-piperazinyl)-4-oxobutanoic acid
[2-Carboxylethyl]-10-methyl-anthracene endoperoxide
Bentazepam
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
gamma-Aminobutyric acid-betaxanthin
[2-Hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] acetate
1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)penta-1,4-dien-3-one
7-Hydroxy-5-methoxy-6,8-dimethylisoflavone
A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 5, a hydroxy group at position 7 and methyl groups at positions 6 and 8. It has been isolated from the buds of Cleistocalyx operculatus and has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains,H1N1 and H9N2.
beta-L-arabinofuranosyl-(1->2)-1-O-methyl-beta-L-arabinofuranose
(2E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one
2-[3-(Formylamino)-2-hydroxybenzoylamino]-3-hydroxybutanoic acid methyl ester
3-(4-Chlorophenyl)-2-methyl-3,3a,4,5-tetrahydrobenzo[g]indazole
(3Z)-3-[(3,4-Dimethoxyphenyl)methylidene]chromen-4-one
1-iodo-2-methylundecane
An iodoalkane that is undecane substituted by an iodo group at position 1 and a methyl group at position 2. Metabolite observed in cancer metabolism.
7-demethoxyegonol
A member of the class of 1-benzofurans that is egonol in which the methoxy group at position 7 is replaced by a hydrogen. It has been isolated from the fruits of Styrax agrestis.
TCS1105
TCS1105 is a benzodiazepine ligand with agonist for α2-subunit containing GABAA receptors and antagonist for α1-subunit containing GABAA receptors. TCS1105 reduces anxiety-like behavior in mice. TCS1105 enhances offensive behavior and social dominance. TCS1105 blocks Sema3A induced AGC (axonal growth cones) collapse in a concentration-dependent fashion[1][2].
(2e)-3-[(2s,3r)-3-(hydroxymethyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
(2e)-3-phenylprop-2-en-1-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
3-hydroxy-2-[(2r)-1-hydroxypropan-2-yl]-8-methylphenanthrene-1,4-dione
2-[5-(3-hydroxyprop-1-en-1-yl)-1-benzofuran-2-yl]-5-methoxyphenol
5-hydroxy-2-(4-hydroxy-3-methylphenyl)-3,7-dimethylchromen-4-one
4-{5-[(1e)-3-hydroxyprop-1-en-1-yl]-1-benzofuran-2-yl}-3-methoxyphenol
6-methoxy-3-(4-methoxyphenyl)-7-methylchromen-4-one
2-amino-4-[cyano(3,4-dihydroxy-5-methoxyphenyl)methoxy]butanoic acid
3-{3,4-dihydroxy-5-[4-(prop-2-en-1-yl)phenoxy]phenyl}prop-2-enal
(1e,4e)-1-(4-hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)penta-1,4-dien-3-one
1-{2-[(2e,4s)-4-hydroxy-4-(hydroxymethyl)-1-methyl-5-oxopyrrolidin-2-ylidene]acetyl}-4-methoxy-5h-pyrrol-2-one
1-hydroxy-2-[(2r)-1-hydroxypropan-2-yl]-8-methylphenanthrene-3,4-dione
1-o-glucopyranosylglycerol; beta-d-(2r)-form,3-ac
{"Ingredient_id": "HBIN002917","Ingredient_name": "1-o-glucopyranosylglycerol; beta-d-(2r)-form,3-ac","Alias": "NA","Ingredient_formula": "C11H20O9","Ingredient_Smile": "NA","Ingredient_weight": "296.27","OB_score": "NA","CAS_id": "92122-76-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9125","PubChem_id": "NA","DrugBank_id": "NA"}
3''-methoxyasparenydiol
{"Ingredient_id": "HBIN008819","Ingredient_name": "3''-methoxyasparenydiol","Alias": "NA","Ingredient_formula": "C18H16O4","Ingredient_Smile": "COC1=C(C=CC(=C1)C#CC=CCOC2=CC=C(C=C2)O)O","Ingredient_weight": "296.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13838","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11738011","DrugBank_id": "NA"}
4-[(2s,3r)-3-methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol
{"Ingredient_id": "HBIN009889","Ingredient_name": "4-[(2s,3r)-3-methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol","Alias": "NA","Ingredient_formula": "C18H16O4","Ingredient_Smile": "CC#CC1=CC2=C(C=C1)OC(C(O2)C3=C(C=C(C=C3)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14687","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-[(2s,3s)-3-methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol
{"Ingredient_id": "HBIN009892","Ingredient_name": "4-[(2s,3s)-3-methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol","Alias": "NA","Ingredient_formula": "C18H16O4","Ingredient_Smile": "CC#CC1=CC2=C(C=C1)OC(C(O2)C3=C(C=C(C=C3)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14688","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
