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CHEBI:210068 - Periconianone A

ChEBI IDCHEBI:210068
ChEBI NamePericonianone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O4
Net Charge0
Average Mass262.305
Monoisotopic Mass262.12051
SMILESC[C@@H]1[C@@H](O)[C@]2(C)C(=O)C=CC3=CC(=O)[C@@]1(O)C[C@@]32C
InChIInChI=1S/C15H18O4/c1-8-12(18)14(3)10(16)5-4-9-6-11(17)15(8,19)7-13(9,14)2/h4-6,8,12,18-19H,7H2,1-3H3/t8-,12-,13+,14+,15-/m1/s1
InChIKeyMSRGDMDGTXGRPI-LXGAMWPLSA-N
Species of MetaboliteComponentSourceComments
Periconiaspecies (ncbitaxon:1756127) - PubMed (24552610)
ChEBI Ontology
Outgoing Relation(s)
Periconianone A (CHEBI:210068) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,8R,9S,11R,12R)-1,12-dihydroxy-8,9,11-trimethyltricyclo[6.2.2.04,9]dodeca-3,5-diene-2,7-dione
Manual XrefsDatabases
30974161ChemSpider