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CHEBI:214308 - Penicyclone B

ChEBI IDCHEBI:214308
ChEBI NamePenicyclone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O6
Net Charge0
Average Mass258.270
Monoisotopic Mass258.11034
SMILESCC1=CC(=O)[C@](O)(CC[C@@H](C)C(=O)O)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H18O6/c1-6(11(16)17)3-4-12(18)8(13)5-7(2)9(14)10(12)15/h5-6,9-10,14-15,18H,3-4H2,1-2H3,(H,16,17)/t6-,9-,10-,12-/m1/s1
InChIKeyKBOKFMMFNBVWFW-XYHAGOFUSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies F23-2 (ncbitaxon:543960) - PubMed (26540093)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Penicyclone B (CHEBI:214308) is a hydroxy fatty acid (CHEBI:24654)
IUPAC Name 
(2R)-2-methyl-4-[(1S,5R,6R)-1,5,6-trihydroxy-4-methyl-2-oxocyclohex-3-en-1-yl]butanoic acid
Manual XrefsDatabases
44210804ChemSpider