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CHEBI:223614 - Clitocybulol B

ChEBI IDCHEBI:223614
ChEBI NameClitocybulol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O3
Net Charge0
Average Mass264.365
Monoisotopic Mass264.17254
SMILESC=C1CO[C@]2(OC)C[C@H](C)C3=C(CC(C)(C)C3)[C@]12O
InChIInChI=1S/C16H24O3/c1-10-6-15(18-5)16(17,11(2)9-19-15)13-8-14(3,4)7-12(10)13/h10,17H,2,6-9H2,1,3-5H3/t10-,15+,16+/m0/s1
InChIKeyAZRNIYBMPDJCCN-AMKSKSKJSA-N
Species of MetaboliteComponentSourceComments
Clitocybula oculus (ncbitaxon:182040) - DOI (10.1016/S0031-9422(98)00173-3)
ChEBI Ontology
Outgoing Relation(s)
Clitocybulol B (CHEBI:223614) is a ketal (CHEBI:59777)
IUPAC Name 
(3aR,5S,8bS)-3a-methoxy-5,7,7-trimethyl-1-methylidene-4,5,6,8-tetrahydrocyclopenta[e][1]benzouran-8b-ol
Manual XrefsDatabases
8929430ChemSpider