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CHEBI:207741 - Ochracene I

ChEBI IDCHEBI:207741
ChEBI NameOchracene I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O2
Net Charge0
Average Mass222.328
Monoisotopic Mass222.16198
SMILESC[C@H]1CC[C@]2(C)C(=CCC[C@H]2O)C=C1CO
InChIInChI=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
InChIKeyRTZDELUQIBPNTR-ZLKJLUDKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ochraceopetaliformis (ncbitaxon:176175) - PubMed (28598633)
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
78438973ChemSpider