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CHEBI:212783 - Eupenicinicol B

ChEBI IDCHEBI:212783
ChEBI NameEupenicinicol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILESC/C=C/C(=O)[C@]1(C)[C@@H]2[C@@H](C=C[C@@H]1[C@H](C)CC)[C@H](O)[C@H](O)C[C@H]2C
InChIInChI=1S/C20H32O3/c1-6-8-17(22)20(5)15(12(3)7-2)10-9-14-18(20)13(4)11-16(21)19(14)23/h6,8-10,12-16,18-19,21,23H,7,11H2,1-5H3/b8-6+/t12-,13-,14-,15-,16-,18+,19+,20-/m1/s1
InChIKeyTYAHOTSECGQFPS-KNJHQLMTSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies LG41 (ncbitaxon:1564184) - PubMed (25356913)
ChEBI Ontology
Outgoing Relation(s)
Eupenicinicol B (CHEBI:212783) is a enone (CHEBI:51689)
IUPAC Name 
(E)-1-[(1S,2S,4aR,5S,6R,8R,8aS)-2-[(2R)-butan-2-yl]-5,6-dihydroxy-1,8-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]but-2-en-1-one
Manual XrefsDatabases
78437477ChemSpider