CHEBI:207726 - Ochracene F

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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 Ochracene F
ChEBI ID CHEBI:207726
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H18O2
Net Charge 0
Average Mass 218.296
Monoisotopic Mass 218.13068
InChI InChI=1S/C14H18O2/c1-10-3-5-14(2)6-4-13(16)8-12(14)7-11(10)9-15/h4,6-8,10,15H,3,5,9H2,1-2H3/t10-,14-/m0/s1
InChIKey KKYSJNBNBZZINV-HZMBPMFUSA-N
SMILES O=C1C=C2C=C([C@@H](C)CC[C@@]2(C)C=C1)CO
Metabolite of Species Details
Aspergillus ochraceopetaliformis (NCBI:txid176175) See: PubMed
ChEBI Ontology
Outgoing Ochracene F (CHEBI:207726) is a cyclic ketone (CHEBI:3992)
IUPAC Name
(7S,9aS)-6-(hydroxymethyl)-7,9a-dimethyl-8,9-dihydro-7H-benzo[7]annulen-3-one
Manual Xref Database
78438970 ChemSpider
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