CHEBI:206482 - Aculene E

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Aculene E
ChEBI ID CHEBI:206482
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H20O2
Net Charge 0
Average Mass 220.312
Monoisotopic Mass 220.14633
InChI InChI=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
InChIKey IIQOUDJDCRTCJY-SGMGOOAPSA-N
SMILES O=C1C=C(CC)[C@H]2[C@@]1([C@@H](O)CC(C)=CC2)C
Metabolite of Species Details
Penicilliumspecies SCS-KFD08 (NCBI:txid1808020) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
62816749 ChemSpider
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