EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223809 - CAF603

ChEBI IDCHEBI:223809
ChEBI NameCAF603
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O2
Net Charge0
Average Mass238.371
Monoisotopic Mass238.19328
SMILESCC1=CC[C@]2(C)C[C@@H](O)[C@](O)(C(C)C)C2CC1
InChIInChI=1S/C15H26O2/c1-10(2)15(17)12-6-5-11(3)7-8-14(12,4)9-13(15)16/h7,10,12-13,16-17H,5-6,8-9H2,1-4H3/t12?,13-,14-,15+/m1/s1
InChIKeyWBVHJGBFCZGJRZ-NUDNTCICSA-N
Species of MetaboliteComponentSourceComments
Trichoderma virens (ncbitaxon:29875) - DOI (10.1016/s0014-2999(97)01206-5)
ChEBI Ontology
Outgoing Relation(s)
CAF603 (CHEBI:223809) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,2R,3aR)-3a,6-dimethyl-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulene-1,2-diol
Manual XrefsDatabases
78439753ChemSpider