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CHEBI:202081 - Isoculmorin

ChEBI IDCHEBI:202081
ChEBI NameIsoculmorin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O2
Net Charge0
Average Mass238.371
Monoisotopic Mass238.19328
SMILESCC12CC[C@H]3[C@@H]([C@H]1O)[C@](C)(CO)CCCC32C
InChIInChI=1S/C15H26O2/c1-13(9-16)6-4-7-14(2)10-5-8-15(14,3)12(17)11(10)13/h10-12,16-17H,4-9H2,1-3H3/t10-,11-,12+,13-,14?,15?/m0/s1
InChIKeyGJIFFFJEPUFSMW-MNTSOTEJSA-N
Species of MetaboliteComponentSourceComments
Kallichroma tethys (ncbitaxon:110573) - PubMed (8699191)
ChEBI Ontology
Outgoing Relation(s)
Isoculmorin (CHEBI:202081) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(1S,6R,7R,8R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecan-8-ol