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CHEBI:204631 - 3-(2,3-dihydroxy-3-methylbutyl)-6-hydroxy-2-[(1E,5E)-3,4,10-trihydroxyundeca-1,5-dienyl]benzaldehyde

ChEBI IDCHEBI:204631
ChEBI Name3-(2,3-dihydroxy-3-methylbutyl)-6-hydroxy-2-[(1E,5E)-3,4,10-trihydroxyundeca-1,5-dienyl]benzaldehyde
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O7
Net Charge0
Average Mass422.518
Monoisotopic Mass422.23045
SMILESCC(O)CCC/C=C/C(O)C(O)/C=C/c1c(CC(O)C(C)(C)O)ccc(O)c1C=O
InChIInChI=1S/C23H34O7/c1-15(25)7-5-4-6-8-20(27)21(28)12-10-17-16(13-22(29)23(2,3)30)9-11-19(26)18(17)14-24/h6,8-12,14-15,20-22,25-30H,4-5,7,13H2,1-3H3/b8-6+,12-10+
InChIKeyBAXXMNBFCLQTAK-VTKKNFPDSA-N
Species of MetaboliteComponentSourceComments
Menisporopsis (ncbitaxon:752603) - PubMed (17067151)
ChEBI Ontology
Outgoing Relation(s)
3-(2,3-dihydroxy-3-methylbutyl)-6-hydroxy-2-[(1E,5E)-3,4,10-trihydroxyundeca-1,5-dienyl]benzaldehyde (CHEBI:204631) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
3-(2,3-dihydroxy-3-methylbutyl)-6-hydroxy-2-[(1E,5E)-3,4,10-trihydroxyundeca-1,5-dienyl]benzaldehyde
Manual XrefsDatabases
17250121ChemSpider