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CHEBI:218836 - Penihydrone

ChEBI IDCHEBI:218836
ChEBI NamePenihydrone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O3
Net Charge0
Average Mass238.327
Monoisotopic Mass238.15689
SMILESCCC/C=C/C=C/[C@@H]1C[C@@H](O)CC(=O)[C@H]1CO
InChIInChI=1S/C14H22O3/c1-2-3-4-5-6-7-11-8-12(16)9-14(17)13(11)10-15/h4-7,11-13,15-16H,2-3,8-10H2,1H3/b5-4+,7-6+/t11-,12-,13+/m1/s1
InChIKeyHBWFPUIBEDBVSO-FHMLZERMSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4039(96)02327-1)
ChEBI Ontology
Outgoing Relation(s)
Penihydrone (CHEBI:218836) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
(2R,3S,5R)-3-[(1E,3E)-hepta-1,3-dienyl]-5-hydroxy-2-(hydroxymethyl)cyclohexan-1-one
Manual XrefsDatabases
8832933ChemSpider