Exact Mass: 254.1518
Exact Mass Matches: 254.1518
Found 213 metabolites which its exact mass value is equals to given mass value 254.1518
,
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.
4-(8-Amino-1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl)phenol
Elymoclavine
Isolysergol
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
(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
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
butyl prop-2-enoate,prop-2-enyl 2-methylprop-2-enoate
4-Piperidinamine,N,N-dimethyl-1-(phenylmethyl)-, hydrochloride (1:2)
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-
(1S,5R,6S)-Ethyl 5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate
(trans,trans)-[1,1-Bicyclohexyl]-4,4-dicarboxylic acid
6,8-dimethyl-2-pyrrolidin-1-ylquinoline-3-carbaldehyde
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
4,6-dimethyl-N-[(E)-1-(2-methylphenyl)ethylideneamino]pyrimidin-2-amine
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
(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"}