EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216681 - (2Z,4E)-6,7-dihydroxy-7-[3-(hydroxymethyl)oxiran-2-yl]-2-[(E)-prop-1-enyl]hepta-2,4-dienal

ChEBI IDCHEBI:216681
ChEBI Name(2Z,4E)-6,7-dihydroxy-7-[3-(hydroxymethyl)oxiran-2-yl]-2-[(E)-prop-1-enyl]hepta-2,4-dienal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O5
Net Charge0
Average Mass254.282
Monoisotopic Mass254.11542
SMILESC/C=C/C(C=O)=C/C=C/C(O)C(O)C1OC1CO
InChIInChI=1S/C13H18O5/c1-2-4-9(7-14)5-3-6-10(16)12(17)13-11(8-15)18-13/h2-7,10-13,15-17H,8H2,1H3/b4-2+,6-3+,9-5-
InChIKeyVAEGPTFYQCVMTP-HUJNKONTSA-N
Species of MetaboliteComponentSourceComments
Menisporopsis (ncbitaxon:752603) - PubMed (17067151)
ChEBI Ontology
Outgoing Relation(s)
(2Z,4E)-6,7-dihydroxy-7-[3-(hydroxymethyl)oxiran-2-yl]-2-[(E)-prop-1-enyl]hepta-2,4-dienal (CHEBI:216681) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(2Z,4E)-6,7-dihydroxy-7-[3-(hydroxymethyl)oxiran-2-yl]-2-[(E)-prop-1-enyl]hepta-2,4-dienal
Manual XrefsDatabases
78444426ChemSpider