EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208958 - (2S,3S,4E)-hepta-4,6-diene-2,3-diol

ChEBI IDCHEBI:208958
ChEBI Name(2S,3S,4E)-hepta-4,6-diene-2,3-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H12O2
Net Charge0
Average Mass128.171
Monoisotopic Mass128.08373
SMILESC=C/C=C/[C@@H](O)[C@@H](C)O
InChIInChI=1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-9H,1H2,2H3/b5-4+/t6-,7-/m1/s1
InChIKeyGNWBKRGDJREVRW-XIMOZBJHSA-N
Species of MetaboliteComponentSourceComments
Cladosporiumspecies (ncbitaxon:1707700) - PubMed (30155461)
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4E)-hepta-4,6-diene-2,3-diol (CHEBI:208958) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(2R,3R,4E)-hepta-4,6-diene-2,3-diol
Manual XrefsDatabases
71048605ChemSpider