CHEBI:168420 - Dimethyl fukiic acid

ChEBI IDCHEBI:168420
ChEBI NameDimethyl fukiic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O8
Net Charge0
Average Mass300.263
Monoisotopic Mass300.08452
SMILESCOC(=O)C(O)C(O)(Cc1ccc(O)c(O)c1)C(=O)OC
InChIInChI=1S/C13H16O8/c1-20-11(17)10(16)13(19,12(18)21-2)6-7-3-4-8(14)9(15)5-7/h3-5,10,14-16,19H,6H2,1-2H3
InChIKeyQHQANDJGWIVAAC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Dimethyl fukiic acid (CHEBI:168420) is a catechols (CHEBI:33566)
IUPAC Name 
dimethyl 2-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybutanedioate
Manual XrefsDatabases
35013062ChemSpider
HMDB0029497HMDB