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CHEBI:212940 - Decumbenone D

ChEBI IDCHEBI:212940
ChEBI NameDecumbenone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28O4
Net Charge0
Average Mass308.418
Monoisotopic Mass308.19876
SMILESCCOCCC(=O)[C@]1(C)[C@@H]2C(=C[C@@H](C)C[C@@H]2O)C=C[C@@]1(C)O
InChIInChI=1S/C18H28O4/c1-5-22-9-7-15(20)18(4)16-13(6-8-17(18,3)21)10-12(2)11-14(16)19/h6,8,10,12,14,16,19,21H,5,7,9,11H2,1-4H3/t12-,14+,16-,17-,18-/m1/s1
InChIKeyPWHWKCZDBLCZDK-PYHPYESLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus carneus (ncbitaxon:41282) - DOI (10.1177/1934578x1501000728)
ChEBI Ontology
Outgoing Relation(s)
Decumbenone D (CHEBI:212940) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
1-[(1R,2R,6S,8S,8aS)-2,8-dihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydronaphthalen-1-yl]-3-ethoxypropan-1-one
Manual XrefsDatabases
44210966ChemSpider