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CHEBI:201071 - Decumbenone B

ChEBI IDCHEBI:201071
ChEBI NameDecumbenone B
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SubmitterMetaboLights
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FormulaC16H26O4
Net Charge0
Average Mass282.380
Monoisotopic Mass282.18311
SMILESC[C@@H]1C[C@@H](O)[C@@H]2[C@H](C=C[C@](C)(O)[C@@]2(C)C(=O)CCO)C1
InChIInChI=1S/C16H26O4/c1-10-8-11-4-6-15(2,20)16(3,13(19)5-7-17)14(11)12(18)9-10/h4,6,10-12,14,17-18,20H,5,7-9H2,1-3H3/t10-,11+,12+,14-,15-,16-/m0/s1
InChIKeyVAJNXMAFOMJOFB-JKXTYNSWSA-N
Species of MetaboliteComponentSourceComments
Penicillium decumbens (ncbitaxon:69771) - DOI (10.1016/s0031-9422(02)00196-6)
ChEBI Ontology
Outgoing Relation(s)
Decumbenone B (CHEBI:201071) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
1-[(1S,2S,4aS,6S,8R,8aR)-2,8-dihydroxy-1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-3-hydroxypropan-1-one
Manual XrefsDatabases
78436716ChemSpider