EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198014 - Dendrodochol B

ChEBI IDCHEBI:198014
ChEBI NameDendrodochol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O4
Net Charge0
Average Mass254.326
Monoisotopic Mass254.15181
SMILESC/C=C/C=C/C=C/[C@H]1C[C@@H](O)[C@H](O)[C@H](O)[C@@H]1CO
InChIInChI=1S/C14H22O4/c1-2-3-4-5-6-7-10-8-12(16)14(18)13(17)11(10)9-15/h2-7,10-18H,8-9H2,1H3/b3-2+,5-4+,7-6+/t10-,11+,12+,13+,14-/m0/s1
InChIKeyNSRGKZSBLPAZRE-KIAXAYBVSA-N
Species of MetaboliteComponentSourceComments
Dendrodochiumspecies (ncbitaxon:2233641) - PubMed (24749951)
ChEBI Ontology
Outgoing Relation(s)
Dendrodochol B (CHEBI:198014) is a cyclohexanols (CHEBI:23480)
IUPAC Name 
(1R,2S,3R,4S,5R)-5-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-(hydroxymethyl)cyclohexane-1,2,3-triol
Manual XrefsDatabases
32674917ChemSpider