EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217634 - Dichomitol

ChEBI IDCHEBI:217634
ChEBI NameDichomitol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESC[C@@]1(CO)C[C@H]2[C@@H](C1)[C@]1(C)CCC(CO)=C1[C@@H]2O
InChIInChI=1S/C15H24O3/c1-14(8-17)5-10-11(6-14)15(2)4-3-9(7-16)12(15)13(10)18/h10-11,13,16-18H,3-8H2,1-2H3/t10-,11+,13+,14+,15-/m0/s1
InChIKeyRTRNIJJMGPYEML-JHOKLZQASA-N
Species of MetaboliteComponentSourceComments
Dichomitus squalens (ncbitaxon:114155) - PubMed (15620268)
ChEBI Ontology
Outgoing Relation(s)
Dichomitol (CHEBI:217634) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3aS,3bR,5S,6aS,7R)-1,5-bis(hydroxymethyl)-3a,5-dimethyl-3,3b,4,6,6a,7-hexahydro-2H-cyclopenta[a]pentalen-7-ol
Manual XrefsDatabases
9634258ChemSpider