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CHEBI:5552 - guaiol

ChEBI IDCHEBI:5552
ChEBI Nameguaiol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILESC[C@H]1CC[C@@H](C(C)(C)O)CC2=C1CC[C@@H]2C
InChIInChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m0/s1
InChIKeyTWVJWDMOZJXUID-SDDRHHMPSA-N
ChEBI Ontology
Outgoing Relation(s)
guaiol (CHEBI:5552) is a guaiane sesquiterpenoid (CHEBI:36744)
IUPAC Name 
guai-1(5)-en-11-ol
Synonyms  Source
GuaiolKEGG COMPOUND
[3S-(3α,5α,8α)]-1,2,3,4,5,6,7,8-octahydro-α,α,3,8-tetramethyl-5-azulenemethanolNIST Chemistry WebBook
champaca camphorChemIDplus
champacolChemIDplus
guaiac alcoholChemIDplus
2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-olIUPAC
Manual XrefsDatabases
C09676KEGG COMPOUND
C00003139KNApSAcK
Registry NumbersSources
Beilstein:2047993Beilstein
CAS:489-86-1KEGG COMPOUND
CAS:489-86-1ChemIDplus
CAS:489-86-1NIST Chemistry WebBook