Exact Mass: 258.1076
Exact Mass Matches: 258.1076
Found 160 metabolites which its exact mass value is equals to given mass value 258.1076,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Glycerophosphorylcholine
2-(((R)-2,3-Dihydroxypropyl)phosphoryloxy)-N,N,N-trimethylethanaminium
Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID G069; [MS2] KO009112 KEIO_ID G069
Carbapenem biosynthesis intermediate 5
3-(2-aminoethylthio)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
3-[(2-aminoethyl)sulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid is a beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carrying additional (2-aminoethyl)sulfanyl and ethyl substituents at positions 3 and 6 respectively. An intermediate in the biosynthesis of carbapenem. It has a role as a bacterial metabolite. It is a beta-lactam, an aliphatic sulfide, a monocarboxylic acid, an organic heterobicyclic compound and a primary amino compound. Carbapenem biosynthesis intermediate 5 is a natural product found in Streptomyces cattleya, Apis cerana, and Euglena gracilis with data available.
1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone
2,3-Diacetyl-3 alpha,5,6,6 alpha-tetrahydro-6 alpha-hydroxy-2,3 alpha,5-trimethylfuro(2,3-D)-1,3-dioxile
1,1-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
6-Nitroquipazine
6-nitro-2-(piperazin-1-yl)quinoline
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
L-enantiomer
2,2,5,5-tetramethyl-tetrahydro-2H-spiro[[1,3]dioxolo[4,5-c]pyran-6,2-[1,4]dioxolane]-7-one
1,4-Dihydro-4-oxo-3-(2-pyrrolidinyl)-2-quinolinecarboxylic acid
1,4-Dihydro-4-oxo-3-(2-pyrrolidinyl)-2-quinolinecarboxylic acid
acetic acid 4-acetoxy-6-hydroxy-1-(2-hydroxyethyl)hexa-1,3-dienyl ester|citrantifidiene
acetic acid 4-acetoxy-6-hydroxy-1-(2-hydroxyethyl)hexa-1,3-dienyl ester|citrantifidiene
3(2-pyrrolidinyl)-KYNA|3-(2-pyrrolidinyl)-kynurenic acid
3(2-pyrrolidinyl)-KYNA|3-(2-pyrrolidinyl)-kynurenic acid
Tensyuic acid B
2-(6-methoxy-6-oxohexyl)-3-methylenesuccinic acid
A tensyuic acid that is itaconic acid which has been substituted at position 3 by a 5-(methoxycarbonyl)pentyl group. The (-)-isomer, isolated from Aspergillus niger FKI-2342.
1-(4-Methoxy-9H-pyrido[3,4-b]indol-1-yl)ethane-1,2-diol
1-(4-Methoxy-9H-pyrido[3,4-b]indol-1-yl)ethane-1,2-diol
2-Thioxo-5-ethyl-5-(3-hydroxy-3-methylbutyl)-2,3-dihydropyrimidine-4,6(1H,5H)-dione
2-Thioxo-5-ethyl-5-(3-hydroxy-3-methylbutyl)-2,3-dihydropyrimidine-4,6(1H,5H)-dione
sn-Glycero-3-phosphocholine 1:1 cadmium chloride adduct
sn-Glycero-3-phosphocholine 1:1 cadmium chloride adduct
Diacetyl trimer
1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone
Shi epoxidation catalyst, L-enantiomer
1,2:4,5-di-o-isopropylidene-beta-d-erythro-2,3-hexodiulo-2,6-pyranose
Ethyl 4-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
Ethyl 4-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
12-OXO-6,7,8,9,10,12-HEXAHYDRO-AZEPINO[2,1-B]QUINAZOLINE-3-CARBOXYLIC ACID
12-OXO-6,7,8,9,10,12-HEXAHYDRO-AZEPINO[2,1-B]QUINAZOLINE-3-CARBOXYLIC ACID
benzyl N-(6-methyl-2-oxo-1H-pyridin-3-yl)carbamate
benzyl N-(6-methyl-2-oxo-1H-pyridin-3-yl)carbamate
4,4,5,5-Tetramethyl-2-(2,3,4-trifluorophenyl)-1,3,2-dioxaborolane
4,4,5,5-Tetramethyl-2-(2,3,4-trifluorophenyl)-1,3,2-dioxaborolane
4,4,5,5-tetramethyl-2-(2,4,5-trifluorophenyl)-1,3,2-dioxaborolane
4,4,5,5-tetramethyl-2-(2,4,5-trifluorophenyl)-1,3,2-dioxaborolane
3-Pyridazinecarboxamide, 6-[[(4-methoxyphenyl)methyl]amino]-
3-Pyridazinecarboxamide, 6-[[(4-methoxyphenyl)methyl]amino]-
5-CYANOAMINO-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
5-CYANOAMINO-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Aspartic acid beta-naphthylamide
L-ASPARTIC ACID α-(β-NAPHTHYLAMIDE)
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
7-ISOPROPOXY-6-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBONITRILE
7-ISOPROPOXY-6-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBONITRILE
(R,R)-7-AMINO-3-(1-METHYLPYRROLIDINIO)METHYL-3-CEPHEM-4-CARBOXYLATEHCL
(R,R)-7-AMINO-3-(1-METHYLPYRROLIDINIO)METHYL-3-CEPHEM-4-CARBOXYLATEHCL
(2,2-DIMETHYL-1-PYRROLIDIN-1-YLMETHYL-PROPYL)-METHYL-CARBAMICACIDBENZYLESTER
(2,2-DIMETHYL-1-PYRROLIDIN-1-YLMETHYL-PROPYL)-METHYL-CARBAMICACIDBENZYLESTER
1-oxo-2,3,4,9-tetrahydro-1h-b-carboline-6-carboxylic acid ethyl ester
1-oxo-2,3,4,9-tetrahydro-1h-b-carboline-6-carboxylic acid ethyl ester
a-D-erythro-Hex-2-enopyranoside,ethyl 2,3-dideoxy-, 4,6-diacetate
a-D-erythro-Hex-2-enopyranoside,ethyl 2,3-dideoxy-, 4,6-diacetate
6,7-Diethoxy-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
6,7-Diethoxy-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
3-(4-METHYL-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDIN-5-YL)PROPANOIC ACID
3-(4-METHYL-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDIN-5-YL)PROPANOIC ACID
N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide
N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide
7-Isopropoxy-6-methoxy-4-oxo-3,4-dihydro-3-quinolinecarbonitrile
7-Isopropoxy-6-methoxy-4-oxo-3,4-dihydro-3-quinolinecarbonitrile
4,4,5,5-tetramethyl-2-(2,4,6-trifluorophenyl)-1,3,2-dioxaborolane
4,4,5,5-tetramethyl-2-(2,4,6-trifluorophenyl)-1,3,2-dioxaborolane
TERT-BUTYL (4-(2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)CARBAMATE
TERT-BUTYL (4-(2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)CARBAMATE
tert-butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate
tert-butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate
O,O-Di(ethyl-d10) O-(2-pyrazinyl) phosphorothioate
O,O-Di(ethyl-d10) O-(2-pyrazinyl) phosphorothioate
1-(5-HYDROXY-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)BUTANE-1,3-DIONE
1-(5-HYDROXY-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)BUTANE-1,3-DIONE
N-[(4-Aminophenyl)methyl]carbamic acid 1,1-dimethylethyl ester hydrochloride
N-[(4-Aminophenyl)methyl]carbamic acid 1,1-dimethylethyl ester hydrochloride
1,2:5,6-di-o-isopropylidene-alpha-d-ribo-3-hexulofuranose
1,2:5,6-di-o-isopropylidene-alpha-d-ribo-3-hexulofuranose
methyl2-((1R,3R)-3-amino-1-hydroxy-4-methylpentyl)thiazole-4-carboxylate
methyl2-((1R,3R)-3-amino-1-hydroxy-4-methylpentyl)thiazole-4-carboxylate
TERT-BUTYL 3-AMINO-5-CYANO-1H-INDAZOLE-1-CARBOXYLATE
TERT-BUTYL 3-AMINO-5-CYANO-1H-INDAZOLE-1-CARBOXYLATE
1-N-Cbz-1-N-Methyl-1,3-diaminopropane hydrochloride
1-N-Cbz-1-N-Methyl-1,3-diaminopropane hydrochloride
6-(2-Oxo-hexahydro-thieno[3,4-D]imidazol-4-YL)-hexanoic acid
6-(2-Oxo-hexahydro-thieno[3,4-D]imidazol-4-YL)-hexanoic acid
Cyclopenta(c)pyrido(3,2-a)carbazole, 1,2,3,8-tetrahydro-
Cyclopenta(c)pyrido(3,2-a)carbazole, 1,2,3,8-tetrahydro-
N-{(E)-amino[(5-methyl-1,3-benzoxazol-2-yl)amino]methylidene}cyclopropanecarboxamide
N-{(E)-amino[(5-methyl-1,3-benzoxazol-2-yl)amino]methylidene}cyclopropanecarboxamide
4-[3-[oxo(1-pyrrolidinyl)methyl]-2H-isoxazol-5-ylidene]-1-cyclohexa-2,5-dienone
4-[3-[oxo(1-pyrrolidinyl)methyl]-2H-isoxazol-5-ylidene]-1-cyclohexa-2,5-dienone
N-[(E)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
N-[(E)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
(2E)-2-[(3-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
(2E)-2-[(3-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
2-[1,3-Dihydroxypropan-2-yloxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
2-[1,3-Dihydroxypropan-2-yloxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
3-Hydroxy-1-oxo-1-[2-(2,3,4-trihydroxybenzyl)hydrazinyl]propan-2-aminium
3-Hydroxy-1-oxo-1-[2-(2,3,4-trihydroxybenzyl)hydrazinyl]propan-2-aminium
2-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-(((R)-2,3-Dihydroxypropyl)phosphoryloxy)-N,N,N-trimethylethanaminium
2-(((R)-2,3-Dihydroxypropyl)phosphoryloxy)-N,N,N-trimethylethanaminium
1,1-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone
1,1-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone
6-Nitroquipazine
6-NITRO-2-PIPERAZIN-1-YL-QUINOLINE
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
3-[(2-aminoethyl)sulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
3-[(2-aminoethyl)sulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
A beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carrying additional (2-aminoethyl)sulfanyl and ethyl substituents at positions 3 and 6 respectively. An intermediate in the biosynthesis of carbapenem.
5-ethyl-2,8,9-trihydroxy-3,12-dioxatricyclo[6.2.2.0⁴,⁹]dodecan-10-one
5-ethyl-2,8,9-trihydroxy-3,12-dioxatricyclo[6.2.2.0⁴,⁹]dodecan-10-one
5-{2-[3-(1-hydroxyethyl)oxiran-2-yl]-2-methoxyethyl}-5-methoxyfuran-2-one
5-{2-[3-(1-hydroxyethyl)oxiran-2-yl]-2-methoxyethyl}-5-methoxyfuran-2-one
2-methyl-4-(1,5,6-trihydroxy-4-methyl-2-oxocyclohex-3-en-1-yl)butanoic acid
2-methyl-4-(1,5,6-trihydroxy-4-methyl-2-oxocyclohex-3-en-1-yl)butanoic acid
(1r,2s,4s,5r,8s,9r)-5-ethyl-2,8,9-trihydroxy-3,12-dioxatricyclo[6.2.2.0⁴,⁹]dodecan-10-one
(1r,2s,4s,5r,8s,9r)-5-ethyl-2,8,9-trihydroxy-3,12-dioxatricyclo[6.2.2.0⁴,⁹]dodecan-10-one
methyl (1s,5s)-5-[(2s)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
methyl (1s,5s)-5-[(2s)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
(2r)-2-(6-methoxy-6-oxohexyl)-3-methylidenebutanedioic acid
(2r)-2-(6-methoxy-6-oxohexyl)-3-methylidenebutanedioic acid
2-(6-methoxy-6-oxohexyl)-3-methylidenebutanedioic acid
2-(6-methoxy-6-oxohexyl)-3-methylidenebutanedioic acid
1-[3-(hydroxymethyl)-9h-pyrido[3,4-b]indol-1-yl]ethane-1,2-diol
1-[3-(hydroxymethyl)-9h-pyrido[3,4-b]indol-1-yl]ethane-1,2-diol
6-(acetyloxy)-1,8-dihydroxyocta-3,5-dien-3-yl acetate
6-(acetyloxy)-1,8-dihydroxyocta-3,5-dien-3-yl acetate
1-(2-hydroxyethyl)-4-methoxy-beta-carboline
NA
{"Ingredient_id": "HBIN000880","Ingredient_name": "1-(2-hydroxyethyl)-4-methoxy-beta-carboline","Alias": "NA","Ingredient_formula": "C14H14N2O3","Ingredient_Smile": "NA","Ingredient_weight": "258.27","OB_score": "NA","CAS_id": "77369-99-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9699","PubChem_id": "NA","DrugBank_id": "NA"}
methyl (1s,5s)-5-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
methyl (1s,5s)-5-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
(2r,3r)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxypropane-1,2-diol
(2r,3r)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxypropane-1,2-diol
(2r,4r,7s)-7-hydroxy-2-methyl-5,10-dioxooxecan-4-yl acetate
(2r,4r,7s)-7-hydroxy-2-methyl-5,10-dioxooxecan-4-yl acetate
methyl (1s,5r)-5-[(2s)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
methyl (1s,5r)-5-[(2s)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
3-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxypropane-1,2-diol
3-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxypropane-1,2-diol
(2r)-2-methyl-4-[(1s,5r,6r)-1,5,6-trihydroxy-4-methyl-2-oxocyclohex-3-en-1-yl]butanoic acid
(2r)-2-methyl-4-[(1s,5r,6r)-1,5,6-trihydroxy-4-methyl-2-oxocyclohex-3-en-1-yl]butanoic acid
n-[(4,5-dimethoxy-6-phenylpyridin-2-yl)methylidene]hydroxylamine
n-[(4,5-dimethoxy-6-phenylpyridin-2-yl)methylidene]hydroxylamine
methyl 7-acetyl-2,3-dihydroxy-8-methyl-6-oxabicyclo[3.2.1]octane-1-carboxylate
methyl 7-acetyl-2,3-dihydroxy-8-methyl-6-oxabicyclo[3.2.1]octane-1-carboxylate
methyl (1r,2s,3s,5s,8s)-7-acetyl-2,3-dihydroxy-8-methyl-6-oxabicyclo[3.2.1]octane-1-carboxylate
methyl (1r,2s,3s,5s,8s)-7-acetyl-2,3-dihydroxy-8-methyl-6-oxabicyclo[3.2.1]octane-1-carboxylate
1-{4-methoxy-9h-pyrido[3,4-b]indol-1-yl}ethane-1,2-diol
1-{4-methoxy-9h-pyrido[3,4-b]indol-1-yl}ethane-1,2-diol
(3e,5e)-6-(acetyloxy)-1,8-dihydroxyocta-3,5-dien-3-yl acetate
(3e,5e)-6-(acetyloxy)-1,8-dihydroxyocta-3,5-dien-3-yl acetate
(7s,8r,9r)-9-(hydroxymethyl)-4,7-dimethoxy-7,8-dimethyl-1,6-dioxaspiro[4.4]non-3-en-2-one
(7s,8r,9r)-9-(hydroxymethyl)-4,7-dimethoxy-7,8-dimethyl-1,6-dioxaspiro[4.4]non-3-en-2-one
(1r,2r,3s,5r,6r,8r,10r)-5,6,8,10-tetramethyl-7,9,11-trioxatetracyclo[6.3.0.0²,⁶.0³,¹⁰]undecane-1,3,5-triol
(1r,2r,3s,5r,6r,8r,10r)-5,6,8,10-tetramethyl-7,9,11-trioxatetracyclo[6.3.0.0²,⁶.0³,¹⁰]undecane-1,3,5-triol
(e)-n-[(4,5-dimethoxy-6-phenylpyridin-2-yl)methylidene]hydroxylamine
(e)-n-[(4,5-dimethoxy-6-phenylpyridin-2-yl)methylidene]hydroxylamine
(5r)-5-[(2s)-2-[(2r,3s)-3-[(1s)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one
(5r)-5-[(2s)-2-[(2r,3s)-3-[(1s)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one
3-methoxy-2,3-dimethylpyrazino[1,2-a]indole-1,4-dione
3-methoxy-2,3-dimethylpyrazino[1,2-a]indole-1,4-dione
(1r)-1-{4-methoxy-9h-pyrido[3,4-b]indol-1-yl}ethane-1,2-diol
(1r)-1-{4-methoxy-9h-pyrido[3,4-b]indol-1-yl}ethane-1,2-diol
methyl 5-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
methyl 5-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
9-(hydroxymethyl)-4,7-dimethoxy-7,8-dimethyl-1,6-dioxaspiro[4.4]non-3-en-2-one
9-(hydroxymethyl)-4,7-dimethoxy-7,8-dimethyl-1,6-dioxaspiro[4.4]non-3-en-2-one
