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CHEBI:180528 - alpha,gamma-Onoceradienedione

ChEBI IDCHEBI:180528
ChEBI Namealpha,gamma-Onoceradienedione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O2
Net Charge0
Average Mass438.696
Monoisotopic Mass438.34978
SMILESC=C1CCC2C(C)(C)C(=O)CCC2(C)C1CCC1C(C)=CCC2C(C)(C)C(=O)CCC12C
InChIInChI=1S/C30H46O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h10,21-24H,1,9,11-18H2,2-8H3
InChIKeyAVJMTAKTBATOTJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS3233)
ChEBI Ontology
Outgoing Relation(s)
alpha,gamma-Onoceradienedione (CHEBI:180528) is a triterpenoid (CHEBI:36615)
IUPAC Name 
5-[2-(5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)ethyl]-1,1,4a,6-tetramethyl-4,5,8,8a-tetrahydro-3H-naphthalen-2-one
Manual XrefsDatabases
68026585ChemSpider
HMDB0036787HMDB