EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200620 - Grifolinone A

ChEBI IDCHEBI:200620
ChEBI NameGrifolinone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O3
Net Charge0
Average Mass342.479
Monoisotopic Mass342.21949
SMILESCC(C)=CC(=O)C/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)cc1O
InChIInChI=1S/C22H30O3/c1-15(2)11-19(23)12-17(4)8-6-7-16(3)9-10-20-21(24)13-18(5)14-22(20)25/h8-9,11,13-14,24-25H,6-7,10,12H2,1-5H3/b16-9+,17-8+
InChIKeyGJGLMFCDUOJOTL-AAZCYQLISA-N
Species of MetaboliteComponentSourceComments
Neoalbatrellus caeruleoporus (ncbitaxon:2530190) - PubMed (16169234)
ChEBI Ontology
Outgoing Relation(s)
Grifolinone A (CHEBI:200620) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(6E,10E)-12-(2,6-dihydroxy-4-methylphenyl)-2,6,10-trimethyldodeca-2,6,10-trien-4-one
Manual XrefsDatabases
9820597ChemSpider