Exact Mass: 254.1419
Exact Mass Matches: 254.1419
Found 234 metabolites which its exact mass value is equals to given mass value 254.1419
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Chanoclavine-I aldehyde
An enal resulting from the oxidation of the primary alcohol group of chanoclavine-I to the corresponding aldehyde.
(+)-Setoclavine
(+)-Setoclavine is found in cereals and cereal products. (+)-Setoclavine is an alkaloid from ergot found on Pennisetum typhoideum (pearl millet). Alkaloid from ergot found on Pennisetum typhoideum (pearl millet). (+)-Setoclavine is found in cereals and cereal products.
Homoanserine
Homoanserine (N-(4-Aminobutyryl)-L-histidine) is a dipeptide identified in the brain and muscles of mammals. (PMID 3780724, 6078589) It has been found that homoanserine is not merely deposited in skeletal muscles but that is actively synthesized by muscle cells in culture. (PMID 8307008) [HMDB] Homoanserine (N-(4-Aminobutyryl)-L-histidine) is a dipeptide identified in the brain and muscles of mammals. (PMID 3780724, 6078589) It has been found that homoanserine is not merely deposited in skeletal muscles but that is actively synthesized by muscle cells in culture. (PMID 8307008).
Valylhistidine
Valylhistidine is a dipeptide composed of valine and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Histidylvaline
Histidylvaline is a dipeptide composed of histidine and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
4-[(2-Methyl-3-furanyl)thio]-5-nonanone
4-[(2-Methyl-3-furanyl)thio]-5-nonanone is a flavouring ingredient. Flavouring ingredient
2,6-Dimethyl-3-[(2-methyl-3-furanyl)thio]-4-heptanone
2,6-Dimethyl-3-[(2-methyl-3-furanyl)thio]-4-heptanone is a flavouring ingredient. Flavouring ingredient
(S)-Argpyrimidine
(S)-Argpyrimidine is found in alcoholic beverages. (S)-Argpyrimidine is found in beer.
4-(8-Amino-1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl)phenol
Elymoclavine
Isolysergol
Pimonidazole
C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents
2-(2-Hydroxy-4-methylphenyl)-3-(2-methylpropoxy)-1,2-propanediol
Aspergillide B
A macrolide that is 4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one substituted by a hydroxy group at position 14 and a methyl group at position 5 (the 1S,5S,9E,11R,14S stereoisomer). It is isolated from the marine-derived fungus Aspergillus ostianus and exhibits cytotoxic activity against mouse lymphocytic leukemia cells (L1210).
N-methyl-N-[3-phenyl-3-(pyridin-2-yl)propyl]formamide
(6S,7S,11R)-2-chloro-3,7,11-trimethyl-10-methylidenespiro[5.5]undec-2-en-7-ol
4,5-dihydro4beta.5alpha-dihydrooxyoblongolide|oblongolide R
6alpha-acetyl-4beta,5beta-dimethyl-1(10)alpha-epoxy-2beta,7beta-dihydroxydecalin|laevinol G
(2R,4aS,5R,7aR,4R)-(-)-7a-methyl-botryodioxanenone
(3E,9Z)-6-Hydroxy-7-chloro-pentadeca-3,9-dien-1-yne|12, 13-Dihydro-(3E, 6S, 7S, 9Z, 12Z)-7-Chloro-3, 9, 12-pentadecatrien-1-yn-6-ol
Lysergol
An alkaloid of the ergoline family that occurs as a minor constituent in some species of fungi and in the morning glory family of plants. Its structure is that of ergoline with a methyl group at N-6 and a beta-hydroxymethyl substituent at C-8. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants Origin: Plant; SubCategory_DNP: Alkaloids derived from tryptophan, Ergot alkaloids, Clavine alkaloid
3-Hydroxy-4-methyl-6-(1-methyl-1,2-dihydroxyethyl)-4,4a,5,6,7,8-hexahydronaphthalene-2(3H)-one
(6S,13R)-6,13-dihydroxy-2E,4E,8E-tetradecatrienoic acid
19-nor-dasycarpidan-1-one|Des-N-methyl-dasycarpidon|des-N-Methyl-dasycarpon|N-Nordasycarpidone.
2-[2-Oxo-3-(3-oxobutyl)-4-methylcyclohexyl]propanoic acid
(2S,4R,4aR,5R,7aS,4R)-(+)-4-epi-methylbotryodioxanenone
PIMONIDAZOLE
C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents
(2R,3R,6R)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one
(3E,5E)-2-(4-methoxy-4-oxobutyl)nona-3,5-dienoic acid
NPE_255.1491_11.6
CONFIDENCE Identification confirmed with Reference Standard synthesized at Eawag (Level 1); INTERNAL_ID 1106
NPE_255.1491_11.0
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1107
C14H22O4_(2E)-2-(Hydroxymethyl)-3-[(1R,6R)-3-(hydroxymethyl)-6-isopropyl-2-cyclohexen-1-yl]acrylic acid
C14H22O4_3-Hydroxy-1a,5-bis(hydroxymethyl)-5,6b-dimethyloctahydrocyclopropa[e]inden-2(1H)-one
3-hydroxy-1a,5-bis(hydroxymethyl)-5,6b-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopropa[e]inden-2-one
(E)-2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoic acid
(2R,3R,6R)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one
3-hydroxy-1a,5-bis(hydroxymethyl)-5,6b-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopropa[e]inden-2-one_major
3-hydroxy-1a,5-bis(hydroxymethyl)-5,6b-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopropa[e]inden-2-one_minor
(E)-2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoic acid_major
(2R,3R,6R)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one_major
His-val
A dipeptide formed from L-histidine and L-valine residues.
Val-his
A dipeptide formed from L-valine and L-histidine residues.
Setoclavine
4,4,5,5-Tetramethyl-2-(naphthalen-1-yl)-1,3,2-dioxaborolane
1-(3-ethoxy-3-oxopropyl)bicyclo[2.2.2]octane-4-carboxylic acid
4-(2-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
tert-butyl N-[2-amino-2-(2-fluorophenyl)ethyl]carbamate
Decahydro-2,6-naphthalenedicarboxylic Acid Dimethyl Ester
5,6,7,8-tetradeuterio-2-methyl-3-(2-methylphenyl)quinazolin-4-one
butyl prop-2-enoate,prop-2-enyl 2-methylprop-2-enoate
4-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
4-[(4-butylphenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one
4-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Benzamide,3-amino-N-(2,4-dimethylphenyl)-4-methyl-
tert-butyl 3-methoxy-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
(1S,5R,6S)-Ethyl 5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate
2-(5-AMINO-[1,3,4]OXADIAZOL-2-YL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(trans,trans)-[1,1-Bicyclohexyl]-4,4-dicarboxylic acid
6,8-dimethyl-2-pyrrolidin-1-ylquinoline-3-carbaldehyde
Argpyrimidine
A member of the class of hydroxypyrimidines obtained by cyclocondensation of L-arginine and methylglyoxal; a methyl glyoxal-derived advanced glycation end-product (AGE) in familial amyloidotic polyneuropathy and human cancers.
N-Methyl-N-[3-phenyl-3-(2-pyridinyl)propyl]formamide
2-(Hydroxymethyl)-3-[3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoic acid
(2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
Aspergillide A
A macrolide that is 4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one substituted by a hydroxy group at position 14 and a methyl group at position 5 (the 1R,5S,9E,11R,14S stereoisomer). It is isolated from the marine-derived fungus Aspergillus ostianus and exhibits cytotoxic activity against mouse lymphocytic leukemia cells (L1210).
Merulin A, (rel)-
D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides A natural product found in Endophytic fungi.
1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethanone
(2S)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
(3E,5E)-2-(4-Methoxy-4-oxobutyl)nona-3,5-dienoic acid
(2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
Methyl 8,8-ethylenedioxy-4,4-dimethyl-1alpha,5alpha-bicyclo(3.3.0)octane-2beta-carboxylate
3-(Methoxycarbonyl)-6-isopropyloctahydro-2H-cyclohepta[b]furan-2-one
2,6-Dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
(1s,6r,9s,10r)-10-hydroxy-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.0¹,⁶]tridecan-5-one
(1s,5r,11r,14s)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one
8-(carboxymethyl)-2,6,6-trimethylbicyclo[3.2.1]octane-1-carboxylic acid
[(4s,7r)-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaen-4-yl]methanol
6-(5-hydroxy-5-methylhexyl)-4-methoxy-3-methylpyran-2-one
4-hydroxy-6-[(6s)-6-hydroxy-5-methylheptyl]-3-methylpyran-2-one
10-hydroxy-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.0¹,⁶]tridecan-5-one
(3s,6r)-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-ol
(1s,2s,6r,7s,9s,10r,11r)-1,4,4-trimethyl-8,13-dioxatetracyclo[8.2.1.0²,⁶.0⁷,¹¹]tridecane-9,10-diol
5-methoxy-10,10-dimethyl-8,12-diazatetracyclo[6.6.1.0²,⁷.0¹¹,¹⁵]pentadeca-1(15),2,4,6,11-pentaene
1-oxo-2β-[3-butanone]-3α-methyl-6β-[2-propanoicacid]-cyclohexane
{"Ingredient_id": "HBIN002941","Ingredient_name": "1-oxo-2\u03b2-[3-butanone]-3\u03b1-methyl-6\u03b2-[2-propanoicacid]-cyclohexane","Alias": "NA","Ingredient_formula": "C14H22O4","Ingredient_Smile": "CC1CCC(C(=O)C1CCC(=O)C)C(C)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16286","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}