EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:3531 - Centarol

Default Structure
ChEBI IDCHEBI:3531
ChEBI NameCentarol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H26O2
Net Charge0
Average Mass238.371
Monoisotopic Mass238.19328
SMILES[H][C@@]12CC=C(C)[C@H](O)[C@]1([H])C(C)(C)CCC[C@]2(C)O
InChIInChI=1S/C15H26O2/c1-10-6-7-11-12(13(10)16)14(2,3)8-5-9-15(11,4)17/h6,11-13,16-17H,5,7-9H2,1-4H3/t11-,12-,13+,15+/m1/s1
InChIKeyNUXLUAXOQWMFEE-CXTNEJHOSA-N
ChEBI Ontology
Outgoing Relation(s)
Centarol (CHEBI:3531) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
CentarolKEGG COMPOUND
Manual XrefsDatabases
C00003113KNApSAcK
C09632KEGG COMPOUND
Registry NumbersSources
CAS:57308-24-4KEGG COMPOUND