EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206482 - Aculene E

ChEBI IDCHEBI:206482
ChEBI NameAculene E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O2
Net Charge0
Average Mass220.312
Monoisotopic Mass220.14633
SMILESCCC1=CC(=O)[C@@]2(C)[C@@H](O)CC(C)=CC[C@@H]12
InChIInChI=1S/C14H20O2/c1-4-10-8-13(16)14(3)11(10)6-5-9(2)7-12(14)15/h5,8,11-12,15H,4,6-7H2,1-3H3/t11-,12-,14+/m0/s1
InChIKeyIIQOUDJDCRTCJY-SGMGOOAPSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies SCS-KFD08 (ncbitaxon:1808020) - PubMed (27709333)
ChEBI Ontology
Outgoing Relation(s)
Aculene E (CHEBI:206482) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3aS,8S,8aR)-3-ethyl-8-hydroxy-6,8a-dimethyl-3a,4,7,8-tetrahydroazulen-1-one
Manual XrefsDatabases
62816749ChemSpider