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CHEBI:219636 - Inonotic acid methyl ester

ChEBI IDCHEBI:219636
ChEBI NameInonotic acid methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O6
Net Charge0
Average Mass278.260
Monoisotopic Mass278.07904
SMILESCOC(=O)CC(=O)/C=C(O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C14H14O6/c1-20-14(19)8-11(16)7-10(15)4-2-9-3-5-12(17)13(18)6-9/h2-7,15,17-18H,8H2,1H3/b4-2+,10-7-
InChIKeyQXUVQBJJRVSDDZ-OLNNHYSCSA-N
Species of MetaboliteComponentSourceComments
Inonotusspecies (ncbitaxon:2169605) - PubMed (16791316)
ChEBI Ontology
Outgoing Relation(s)
Inonotic acid methyl ester (CHEBI:219636) is a catechols (CHEBI:33566)
IUPAC Name 
methyl (4Z,6E)-7-(3,4-dihydroxyphenyl)-5-hydroxy-3-oxohepta-4,6-dienoate
Manual XrefsDatabases
9696755ChemSpider