EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219719 - Chaetopenoid F

ChEBI IDCHEBI:219719
ChEBI NameChaetopenoid F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O3
Net Charge0
Average Mass208.257
Monoisotopic Mass208.10994
SMILESC[C@H]1C(=O)C=CC2=C[C@@H](O)[C@H](O)C[C@@]21C
InChIInChI=1S/C12H16O3/c1-7-9(13)4-3-8-5-10(14)11(15)6-12(7,8)2/h3-5,7,10-11,14-15H,6H2,1-2H3/t7-,10+,11+,12+/m0/s1
InChIKeyJWUYTXSKGNYNRH-FZVWWSIASA-N
Species of MetaboliteComponentSourceComments
Chaetoconis (ncbitaxon:565394) - PubMed (26995148)
ChEBI Ontology
Outgoing Relation(s)
Chaetopenoid F (CHEBI:219719) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,6R,7R,8aR)-6,7-dihydroxy-1,8a-dimethyl-1,6,7,8-tetrahydronaphthalen-2-one
Manual XrefsDatabases
76772487ChemSpider