Exact Mass: 280.0881586
Exact Mass Matches: 280.0881586
Found 206 metabolites which its exact mass value is equals to given mass value 280.0881586,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Methyl nigakinone
Methyl nigakinone is a member of beta-carbolines. 4,5-Dimethoxycanthin-6-one is a natural product found in Alangium chinense, Picrasma quassioides, and Eurycoma longifolia with data available. 4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM. 4,5-Dimethoxycanthin-6-one, as an alkaloid, is isolated from the wood of Picrasma quassioides BENNET (Simaroubaceae)[1][2]. 4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM. 4,5-Dimethoxycanthin-6-one, as an alkaloid, is isolated from the wood of Picrasma quassioides BENNET (Simaroubaceae)[1][2].
Gravolenic acid
Gravolenic acid is found in herbs and spices. Gravolenic acid is isolated from above-ground parts of Ruta graveolens (rue). Isolated from above-ground parts of Ruta graveolens (rue). Gravolenic acid is found in herbs and spices.
Methionyl-Methionine
C10H20N2O3S2 (280.09152900000004)
Methionyl-Methionine is a dipeptied compoosed of two methionine residues. 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.
N-Despyridinyl rosiglitazone
N-Despyridinyl rosiglitazone is a metabolite of rosiglitazone. Rosiglitazone is an antidiabetic drug in the thiazolidinedione class of drugs. It works as an insulin sensitizer, by binding to the PPAR receptors in fat cells and making the cells more responsive to insulin. It is marketed by the pharmaceutical company GlaxoSmithKline (GSK) as a stand-alone drug (Avandia) and in combination with metformin (Avandamet) or with glimepiride (Avandaryl). Annual sales peaked at approximately $2.5bn in 2006, but declined after reports of adverse effects. (Wikipedia)
12-Bromo-4(13),6,9-lauratriene
4,5-Dimethoxycanthin-6-one
4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM. 4,5-Dimethoxycanthin-6-one, as an alkaloid, is isolated from the wood of Picrasma quassioides BENNET (Simaroubaceae)[1][2]. 4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM. 4,5-Dimethoxycanthin-6-one, as an alkaloid, is isolated from the wood of Picrasma quassioides BENNET (Simaroubaceae)[1][2].
Ethyl phthalyl ethyl glycolate
CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8547; ORIGINAL_PRECURSOR_SCAN_NO 8543 ORIGINAL_ACQUISITION_NO 8582; CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 8579 CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8582; ORIGINAL_PRECURSOR_SCAN_NO 8579 CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8594; ORIGINAL_PRECURSOR_SCAN_NO 8590 CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8629; ORIGINAL_PRECURSOR_SCAN_NO 8624 CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8644; ORIGINAL_PRECURSOR_SCAN_NO 8639
6-O-malonyl-beta-methyl-D-glucopyranoside|6-O-malonyl-??-methyl-D-glucopyranoside|methyl 6-O-(2-carboxyacetyl)-beta-D-glucopyranoside
6-acetoxy-8,9-dehydro-6-carbomethoxy-10-hydroxy-thymol
(3R*,4R*)-3,4-dihydro-3,4,8-trihydroxy-6-methoxy-3-(2-oxopropyl)naphthalen-1(2H)-one|balticol D
(E)-2,3-dihydroxycyclopentyl-3-(3,4-dihydroxyphenyl)acrylate|1-(3,4-dihydroxycinnamoyl)cyclopentane-2,3-diol
4-(9h-beta-carbolin-1-yl)-4-oxobut-2-enoic acid methyl ester
(4bR,10bR)-4b-hydroxy-10b,12-dihydrodibenzo[c,h][2,6]naphthyridine-5,11(4bH,6H)-dione
(6S,8S)-5,6,7,8-tetrahydro-1,3,6-trihydroxy-6-acetyl-8-methylnaphthalene-4-carboxylic acid|ficuselastic acid
2-(1,3-benzodioxol-5-yl)ethyl 5-hydroxy-4-oxo-pentanoate
6-(1-bromo-2-methyl-propyl)-1,4-dimethyl-5,6-dihydro-4H-indene
(4-hydroxyphenyl)-[5-(4-hydroxyphenyl)-1H-imidazol-2-yl]methanone
(E)-1-(L-cystein-S-yl)-N-hydroxy-omega-(methylsulfanyl)hexan-1-imine
C10H20N2O3S2 (280.09152900000004)
N-(9H-Purin-6-ylcarbamoyl)threonine
C10H12N6O4 (280.09199920000003)
Zhebeiresinol
Zhepeiresinol is a natural product found in Magnolia kachirachirai, Ilex pubescens, and Callicarpa pilosissima with data available.
Met-met
C10H20N2O3S2 (280.09152900000004)
A dipeptide formed from two L-methionine residues.
Gravolenic acid
3-(2-AMINOETHYLSULFANYL)-1-(4-METHOXY-PHENYL)PYRROLIDINE-2,5-DIONE
3-AMINO-2,7-DIMETHYL-5,6,7,8-TETRAHYDRO-[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
3-BENZYL-4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLIC ACID
6-BROMO-1,1,4,4,7-PENTAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE
4-(2-METHYL-4-OXO-4 H-QUINAZOLIN-3-YL)-BENZOIC ACID
3-(3,5-Dimethyl-1H-pyrazol-4-ylmethyl)-4-methoxy-benzaldehyde hydrochloride
4-OXO-3-PHENYL-3,4-DIHYDROPHTHALAZINE-1-CARBOHYDRAZIDE
(2r,3r)-2,3-o-(1-phenylethylidene)-l-tartaric acid dimethyl ester
6-(BROMOMETHYL)-1,1,4,4-TETRAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE
3-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid
N-(6-Ethoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-3-oxobutanamide
(3-(Morpholine-4-carbonyl)-5-nitrophenyl)boronic acid
Ethyl 8-chloro-3,4,4a,5-tetrahydro-1H-pyrido[4,3-b]indole-2(9bH)-carboxylate
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxycarbonyl]benzoic acid
Imiloxan hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
5-[4-(2-Methylaminoethoxy)-benzyl]-thiazolidine-2,4-dione
N-[2-(6-Chloro-5-methoxy-2-methyl-1H-indol-3-YL)ethyl]acetamide
2-oxo-N-(2-pyridinylmethyl)-1-benzopyran-3-carboxamide
3-(2-Pyridinyl)-6-(2-pyridinylmethylthio)pyridazine
1-Deoxy-1-methoxycarbamido-beta-D-gluco-2-heptulopyranosonamide
C9H16N2O8 (280.09066160000003)
isopropyl 6-O-acetyl-beta-D-thiogalactopyranoside
C11H20O6S (280.09805400000005)
(2R)-2-amino-3-[(E)-N-hydroxy-C-(5-methylsulfanylpentyl)carbonimidoyl]sulfanylpropanoic acid
C10H20N2O3S2 (280.09152900000004)
4-{(E)-[2-(1H-benzimidazol-2-yl)hydrazinylidene]methyl}benzoic acid
N-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
2-{2-[5-(2-Hydroxyphenyl)-1,2,4-oxadiazol-3-yl]vinyl}phenol
2-oxo-N-(3-pyridinylmethyl)-1-benzopyran-3-carboxamide
(3Z)-3-{[(6-methylpyridin-2-yl)amino]methylidene}-2H-chromene-2,4(3H)-dione
3-[(2-pyridinylmethylamino)methylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione
(Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-2-enamide
6-(1-Carboxypropan-2-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(2-Carboxypropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
1-Methyl 3-(3,4,5,6-tetrahydroxyoxan-2-yl)methyl propanedioate
(5Z)-5-(dimethylaminomethylidene)-3-(4-methylphenyl)-1,1-dioxo-1,3-thiazolidin-4-one
6-(2-Carboxypropan-2-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(1-Carboxypropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
(3s)-4-[(1r,2r)-1,5-dihydroxy-4-oxo-2,3-dihydro-1h-naphthalen-2-yl]-3-hydroxybutanoic acid
(3as,4s,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
methyl 3-(7-hydroxy-8-methoxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl)propanoate
(4s,6s)-6,9,11-trihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
1-[(1s,3r)-3-bromo-1,2,2-trimethylcyclopentyl]-4-methylbenzene
3,11-dimethoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
6-chloro-5-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2,2,7-trimethyl-3h-inden-1-one
3-(2,3-dihydroxypropyl)-6,8-dimethoxychromen-2-one
[(3r,4r)-4,8-dihydroxy-3,4-dimethyl-1-oxo-3h-2-benzopyran-7-yl]methyl acetate
2-hydroxy-3-methylbutanoic acid,9ci; (r)-form,o-(3,4-methylenedioxybenzoyl),me ester
{"Ingredient_id": "HBIN005747","Ingredient_name": "2-hydroxy-3-methylbutanoic acid,9ci; (r)-form,o-(3,4-methylenedioxybenzoyl),me ester","Alias": "NA","Ingredient_formula": "C14H16O6","Ingredient_Smile": "NA","Ingredient_weight": "280.27","OB_score": "NA","CAS_id": "126518-78-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8618","PubChem_id": "NA","DrugBank_id": "NA"}
asarumin d
{"Ingredient_id": "HBIN017034","Ingredient_name": "asarumin d","Alias": "NA","Ingredient_formula": "C14H16O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1839","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-(3-bromo-1,2,2-trimethylcyclopentyl)-4-methylbenzene
3-(chloromethyl)-6-hydroxy-4,7,7-trimethyl-3h,6h,8h-indeno[4,5-c]furan-1-one
methyl 3-[(3r)-7-hydroxy-8-methoxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl]propanoate
6,7,8-trimethoxy-3-(propan-2-ylidene)-1,4-benzodioxin-2-one
(2s)-2-[(2r)-1-(acetyloxy)-2-hydroxypropan-2-yl]-2,3-dihydro-1-benzofuran-5-carboxylic acid
[7-hydroxy-2-(2-hydroxypropyl)-4-oxo-2,3-dihydro-1-benzopyran-5-yl]acetic acid
(3s,6s)-3-(chloromethyl)-6-hydroxy-4,7,7-trimethyl-3h,6h,8h-indeno[4,5-c]furan-1-one
6,9,11-trihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
(3ar,4s,6ar)-4-(4-hydroxy-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
(3s,5s)-5-(3-acetyl-2,6-dihydroxy-5-methylphenyl)-3-methoxyoxolan-2-one
(4r,6r)-6,9,11-trihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
3-oxo-3-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methoxy]propanoic acid
4,5,8-trihydroxy-6-methoxy-3-(2-oxopropyl)-3,4-dihydro-2h-naphthalen-1-one
methyl 4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxybut-3-enoate
3-[(2s,4s)-2,4-dihydroxypentyl]-6,8-dihydroxyisochromen-1-one
3-oxo-3-{[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy}propanoic acid
3-[(2r,4r)-2,4-dihydroxypentyl]-6,8-dihydroxyisochromen-1-one
methyl 4-oxo-4-{9h-pyrido[3,4-b]indol-1-yl}but-2-enoate
(3as,4r,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
(2r,5s)-2,5-dihydroxycyclopentyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
methyl (1r,2r,3r)-2-(2,5-dihydroxybenzoyl)-3-hydroxycyclopentane-1-carboxylate
4-methoxy-6-methyl-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-4,7,9(16),10(15),11,13-hexaene-2,3-dione
(4r,6r)-6-[(1r)-1-bromo-2-methylpropyl]-1,4-dimethyl-5,6-dihydro-4h-indene
(3as,6s,6ar,9ar,9br)-8-chloro-6,9a-dimethyl-3-methylidene-3ah,4h,5h,6h,6ah,9bh-azuleno[4,5-b]furan-2,9-dione
3-(2,4-dihydroxypentyl)-6,8-dihydroxyisochromen-1-one
13-methoxy-6-methyl-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-4,7,9(16),10(15),11,13-hexaene-2,3-dione
12,13-dimethoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
(1r,2r,4s,6r)-9-chloro-1,4-dimethyl-11-methylidene-10-oxotricyclo[6.3.0.0²,⁶]undec-8-ene-4-carboxylic acid
3-(1,2-dihydroxypropyl)-6,8-dimethoxychromen-2-one
3-(hydroxymethyl)-13-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
1-[(1s,3s)-3-bromo-1,2,2-trimethylcyclopentyl]-4-methylbenzene
1-[3-(bromomethyl)-1-methyl-2-methylidenecyclopentyl]-4-methylcyclohexa-1,4-diene
5-[5-(hydroxymethyl)-4-methoxy-6-oxopyran-2-yl]-3-methylhexa-2,4-dienoic acid
8,17-diazatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-2,4,6,8,11,13,15,17-octaene-1,9,18-triol
(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl (2e)-3-phenylprop-2-enoate
2-(hydroxymethyl)-6-(thian-3-yloxy)oxane-3,4,5-triol
C11H20O6S (280.09805400000005)
(1s,2'r,3's,5's)-2',3',4-trihydroxy-6-methoxy-5'-methylspiro[2-benzofuran-1,1'-cyclopentan]-3-one
(1r,2r,3r)-2,3-dihydroxycyclopentyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(1r,10r)-8,17-diazatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-2,4,6,8,11,13,15,17-octaene-1,9,18-triol
3,13-dimethoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
4-(4-hydroxy-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
(2r,3r,4s,6s)-3,4,10-trihydroxy-12-methoxy-6-methyl-7-oxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-trien-8-one
methyl 2-(2,5-dihydroxybenzoyl)-3-hydroxycyclopentane-1-carboxylate
(4,8-dihydroxy-3,4-dimethyl-1-oxo-3h-2-benzopyran-7-yl)methyl acetate
[(2s)-7-hydroxy-2-[(2s)-2-hydroxypropyl]-4-oxo-2,3-dihydro-1-benzopyran-5-yl]acetic acid
methyl (2e)-4-oxo-4-{9h-pyrido[3,4-b]indol-1-yl}but-2-enoate
1-[(1s,3s)-3-(bromomethyl)-1-methyl-2-methylidenecyclopentyl]-4-methylcyclohexa-1,4-diene
methyl (2z)-3-[5-(acetyloxy)-2-hydroxy-4-methylphenyl]-4-hydroxybut-2-enoate
(3s,5r)-5-(3-acetyl-2,6-dihydroxy-5-methylphenyl)-3-methoxyoxolan-2-one
methyl 3-[5-(acetyloxy)-2-hydroxy-4-methylphenyl]-4-hydroxybut-2-enoate
5-(3-acetyl-2,6-dihydroxy-5-methylphenyl)-3-methoxyoxolan-2-one
(4r,6s)-6,9,11-trihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
3,4,10-trihydroxy-12-methoxy-6-methyl-7-oxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-trien-8-one
6-(1-bromo-2-methylpropyl)-1,4-dimethyl-5,6-dihydro-4h-indene
2,3-dihydroxycyclopentyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(3s,4s)-4,5,8-trihydroxy-6-methoxy-3-(2-oxopropyl)-3,4-dihydro-2h-naphthalen-1-one
(3ar,4s,6ar)-4-(3-hydroxy-4,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
(2e,4e)-5-[(2s,3s)-5-(2-carboxyethyl)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]penta-2,4-dienoic acid
[(2r)-7-hydroxy-2-[(2s)-2-hydroxypropyl]-4-oxo-2,3-dihydro-1-benzopyran-5-yl]acetic acid
(3ar,4r,6ar)-4-(4-hydroxy-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[(3s)-thian-3-yloxy]oxane-3,4,5-triol
C11H20O6S (280.09805400000005)