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CHEBI:226668 - Decumbenone A

ChEBI IDCHEBI:226668
ChEBI NameDecumbenone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O4
Net Charge0
Average Mass280.364
Monoisotopic Mass280.16746
SMILESC[C@H]1C=C2C=C[C@](C)(O)[C@@](C)(C(=O)CCO)[C@@H]2[C@H](O)C1
InChIInChI=1S/C16H24O4/c1-10-8-11-4-6-15(2,20)16(3,13(19)5-7-17)14(11)12(18)9-10/h4,6,8,10,12,14,17-18,20H,5,7,9H2,1-3H3/t10-,12+,14-,15-,16-/m0/s1
InChIKeyKPUOKNHMWKNLJE-BWLXKTTOSA-N
Species of MetaboliteComponentSourceComments
Penicillium decumbens (ncbitaxon:69771) - DOI (10.1016/s0031-9422(02)00196-6)
ChEBI Ontology
Outgoing Relation(s)
Decumbenone A (CHEBI:226668) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
1-[(1S,2S,6R,8R,8aR)-2,8-dihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydronaphthalen-1-yl]-3-hydroxypropan-1-one
Manual XrefsDatabases
78437813ChemSpider