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CHEBI:177596 - Fukinolic acid

ChEBI IDCHEBI:177596
ChEBI NameFukinolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O11
Net Charge0
Average Mass434.353
Monoisotopic Mass434.08491
SMILESO=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O
InChIInChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1
InChIKeyACYXDIZTQDLTCB-UVIKLTKHSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Fukinolic acid (CHEBI:177596) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxybutanedioic acid
Manual XrefsDatabases
4945282ChemSpider
Registry NumbersSources
CAS:50982-40-6ChemIDplus