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CHEBI:209802 - Penicyclone A

ChEBI IDCHEBI:209802
ChEBI NamePenicyclone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O5
Net Charge0
Average Mass240.255
Monoisotopic Mass240.09977
SMILESCC1=CC(=O)[C@]2(CC[C@@H](C)C(=O)O2)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H16O5/c1-6-3-4-12(17-11(6)16)8(13)5-7(2)9(14)10(12)15/h5-6,9-10,14-15H,3-4H2,1-2H3/t6-,9-,10-,12-/m1/s1
InChIKeyMMVVQWHXKIAXOJ-XYHAGOFUSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies F23-2 (ncbitaxon:543960) - PubMed (26540093)
ChEBI Ontology
Outgoing Relation(s)
Penicyclone A (CHEBI:209802) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(3R,6S,7R,8R)-7,8-dihydroxy-3,9-dimethyl-1-oxaspiro[5.5]undec-9-ene-2,11-dione
Manual XrefsDatabases
44210803ChemSpider