CHEBI:207721 - Ochracene 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 Ochracene E
ChEBI ID CHEBI:207721
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H22O3
Net Charge 0
Average Mass 262.349
Monoisotopic Mass 262.15689
InChI InChI=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
InChIKey AVAPXYDPLVJISB-ZBEGNZNMSA-N
SMILES O=C1C=C2C=C([C@@H](C)CC[C@@]2(C)C=C1)C(OC)OC
Metabolite of Species Details
Aspergillus ochraceopetaliformis (NCBI:txid176175) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78438969 ChemSpider
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