EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223234 - 8-Hydroxy-2,5,8-trimethyl-4-nonanone

ChEBI IDCHEBI:223234
ChEBI Name8-Hydroxy-2,5,8-trimethyl-4-nonanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H24O2
Net Charge0
Average Mass200.322
Monoisotopic Mass200.17763
SMILESCC(C)CC(=O)[C@@H](C)CCC(C)(C)O
InChIInChI=1S/C12H24O2/c1-9(2)8-11(13)10(3)6-7-12(4,5)14/h9-10,14H,6-8H2,1-5H3/t10-/m0/s1
InChIKeyYMTLJHRYMFKYSF-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Stigmatella aurantiaca (ncbitaxon:41) - DOI (10.1016/s0378-1097(98)00252-3)
ChEBI Ontology
Outgoing Relation(s)
8-Hydroxy-2,5,8-trimethyl-4-nonanone (CHEBI:223234) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
8-hydroxy-2,5,8-trimethylnonan-4-one
Manual XrefsDatabases
9260006ChemSpider