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CHEBI:6991 - Montanol

ChEBI IDCHEBI:6991
ChEBI NameMontanol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H36O4
Net Charge0
Average Mass352.515
Monoisotopic Mass352.26136
SMILESC/C(=C\C(=O)[C@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O)C(C)C
InChIInChI=1S/C21H36O4/c1-15(2)17(4)13-19(23)16(3)7-6-11-21(5)20(24)9-8-18(10-12-22)14-25-21/h10,13,15-16,20,22,24H,6-9,11-12,14H2,1-5H3/b17-13+,18-10+/t16-,20-,21+/m1/s1
InChIKeyCFWFJIRDZVFKJB-GRZKGYEASA-N
ChEBI Ontology
Outgoing Relation(s)
Montanol (CHEBI:6991) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
MontanolKEGG COMPOUND
Manual XrefsDatabases
C09137KEGG COMPOUND
C00003457KNApSAcK
Registry NumbersSources
CAS:71117-50-5KEGG COMPOUND