CHEBI:207735 - Ochracene H

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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 H
ChEBI ID CHEBI:207735
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H20O3
Net Charge 0
Average Mass 236.311
Monoisotopic Mass 236.14124
InChI InChI=1S/C14H20O3/c1-9-6-7-14(2)10(4-3-5-12(14)15)8-11(9)13(16)17/h4,8-9,12,15H,3,5-7H2,1-2H3,(H,16,17)/t9-,12+,14+/m0/s1
InChIKey MZLPVRHRFDXNNU-MRCXROJRSA-N
SMILES O=C(O)C1=CC2=CCC[C@H]([C@]2(C)CC[C@@H]1C)O
Metabolite of Species Details
Aspergillus ochraceopetaliformis (NCBI:txid176175) See: PubMed
ChEBI Ontology
Outgoing Ochracene H (CHEBI:207735) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(1R,7S,9aR)-1-hydroxy-7,9a-dimethyl-1,2,3,7,8,9-hexahydrobenzo[7]annulene-6-carboxylic acid
Manual Xref Database
78438972 ChemSpider
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