EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213422 - Diaporol D

ChEBI IDCHEBI:213422
ChEBI NameDiaporol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O3
Net Charge0
Average Mass254.370
Monoisotopic Mass254.18819
SMILESCC1(C)CC(=O)C[C@]2(C)[C@@H](CO)[C@](C)(O)CC[C@@H]12
InChIInChI=1S/C15H26O3/c1-13(2)7-10(17)8-14(3)11(13)5-6-15(4,18)12(14)9-16/h11-12,16,18H,5-9H2,1-4H3/t11-,12+,14-,15+/m0/s1
InChIKeyWNWZLODAMGFTNM-MYZSUADSSA-N
Species of MetaboliteComponentSourceComments
Diaporthespecies (ncbitaxon:1756133) - PubMed (23006147)
ChEBI Ontology
Outgoing Relation(s)
Diaporol D (CHEBI:213422) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(4aS,7R,8S,8aS)-7-hydroxy-8-(hydroxymethyl)-4,4,7,8a-tetramethyl-1,3,4a,5,6,8-hexahydronaphthalen-2-one
Manual XrefsDatabases
28662722ChemSpider