Ochracene I (CHEBI:207741)

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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 I

ChEBI ID	CHEBI:207741

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H22O2

Net Charge

Average Mass

222.328

Monoisotopic Mass

222.16198

InChI

InChI=1S/C14H22O2/c1-10-6-7-14(2)12(8-11(10)9-15)4-3-5-13(14)16/h4,8,10,13,15-16H,3,5-7,9H2,1-2H3/t10-,13+,14+/m0/s1

InChIKey

RTZDELUQIBPNTR-ZLKJLUDKSA-N

SMILES

O[C@H]1[C@]2(C(C=C(CO)[C@H](CC2)C)=CCC1)C

Metabolite of Species	Details
Aspergillus ochraceopetaliformis (NCBI:txid176175)	See: PubMed

ChEBI Ontology
Outgoing	Ochracene I (CHEBI:207741) is a secondary alcohol (CHEBI:35681)

IUPAC Name

(1R,7S,9aR)-6-(hydroxymethyl)-7,9a-dimethyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-1-ol