EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223862 - Periconianone B

ChEBI IDCHEBI:223862
ChEBI NamePericonianone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O4
Net Charge0
Average Mass262.305
Monoisotopic Mass262.12051
SMILESC[C@@H]1C(=O)C=CC2=CC(=O)[C@H]([C@@H](C)C(=O)O)C[C@@]21C
InChIInChI=1S/C15H18O4/c1-8(14(18)19)11-7-15(3)9(2)12(16)5-4-10(15)6-13(11)17/h4-6,8-9,11H,7H2,1-3H3,(H,18,19)/t8-,9-,11+,15-/m1/s1
InChIKeyKPMUWCKKPUHCGG-LIEMUPCESA-N
Species of MetaboliteComponentSourceComments
Periconiaspecies (ncbitaxon:1756127) - PubMed (24552610)
ChEBI Ontology
Outgoing Relation(s)
Periconianone B (CHEBI:223862) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2R)-2-[(2S,8S,8aR)-8,8a-dimethyl-3,7-dioxo-2,8-dihydro-1H-naphthalen-2-yl]propanoic acid
Manual XrefsDatabases
58920138ChemSpider