EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201146 - Dendrodochol A

ChEBI IDCHEBI:201146
ChEBI NameDendrodochol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O4
Net Charge0
Average Mass252.310
Monoisotopic Mass252.13616
SMILESC/C=C/C=C/C=C/[C@H]1C[C@@H](O)[C@H](O)C(=O)[C@@H]1CO
InChIInChI=1S/C14H20O4/c1-2-3-4-5-6-7-10-8-12(16)14(18)13(17)11(10)9-15/h2-7,10-12,14-16,18H,8-9H2,1H3/b3-2+,5-4+,7-6+/t10-,11+,12+,14-/m0/s1
InChIKeyCFWZSOWYRXUYSO-XTZRUMPKSA-N
Species of MetaboliteComponentSourceComments
Dendrodochiumspecies (ncbitaxon:2233641) - PubMed (24749951)
ChEBI Ontology
Outgoing Relation(s)
Dendrodochol A (CHEBI:201146) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
(2S,3R,5R,6S)-5-[(1E,3E,5E)-hepta-1,3,5-trienyl]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one
Manual XrefsDatabases
32674916ChemSpider