EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207721 - Ochracene E

ChEBI IDCHEBI:207721
ChEBI NameOchracene E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O3
Net Charge0
Average Mass262.349
Monoisotopic Mass262.15689
SMILESCOC(OC)C1=CC2=CC(=O)C=C[C@]2(C)CC[C@@H]1C
InChIInChI=1S/C16H22O3/c1-11-5-7-16(2)8-6-13(17)9-12(16)10-14(11)15(18-3)19-4/h6,8-11,15H,5,7H2,1-4H3/t11-,16-/m0/s1
InChIKeyAVAPXYDPLVJISB-ZBEGNZNMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ochraceopetaliformis (ncbitaxon:176175) - PubMed (28598633)
ChEBI Ontology
Outgoing Relation(s)
Ochracene E (CHEBI:207721) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
(7S,9aS)-6-(dimethoxymethyl)-7,9a-dimethyl-8,9-dihydro-7H-benzo[7]annulen-3-one
Manual XrefsDatabases
78438969ChemSpider