EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:193342 - (-)-Isoamijiol

ChEBI IDCHEBI:193342
ChEBI Name(-)-Isoamijiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O2
Net Charge0
Average Mass304.474
Monoisotopic Mass304.24023
SMILESC=C1[C@@H](O)CC[C@@]2(C)CCC3=C(C(C)C)CC[C@]3(C)C[C@]12O
InChIInChI=1S/C20H32O2/c1-13(2)15-6-9-18(4)12-20(22)14(3)17(21)8-11-19(20,5)10-7-16(15)18/h13,17,21-22H,3,6-12H2,1-2,4-5H3/t17-,18+,19+,20-/m0/s1
InChIKeyYEHZXAFZUPRJBB-NMLBUPMWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
(-)-Isoamijiol (CHEBI:193342) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(5aR,8S,9aR,10aR)-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-1,2,4,5,6,7,8,10-octahydrobenzo[]azulene-8,9a-diol
Manual XrefsDatabases
10472558ChemSpider