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CHEBI:203560 - Decumbenone C

ChEBI IDCHEBI:203560
ChEBI NameDecumbenone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O5
Net Charge0
Average Mass298.379
Monoisotopic Mass298.17802
SMILESC[C@H]1C[C@H](O)[C@H]2[C@@](O)(C=C[C@@](C)(O)[C@]2(C)C(=O)CCO)C1
InChIInChI=1S/C16H26O5/c1-10-8-11(18)13-15(3,12(19)4-7-17)14(2,20)5-6-16(13,21)9-10/h5-6,10-11,13,17-18,20-21H,4,7-9H2,1-3H3/t10-,11-,13+,14+,15+,16+/m0/s1
InChIKeyXLPZAZKGKJAESI-MTBPCUBESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (23139126)
ChEBI Ontology
Outgoing Relation(s)
Decumbenone C (CHEBI:203560) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
1-[(1R,2R,4aS,6S,8S,8aS)-2,4a,8-trihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]-3-hydroxypropan-1-one
Manual XrefsDatabases
29215287ChemSpider