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CHEBI:175271 - Dattelic acid

ChEBI IDCHEBI:175271
ChEBI NameDattelic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O8
Net Charge0
Average Mass336.296
Monoisotopic Mass336.08452
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OC1CC(C(=O)O)=CC(O)C1O
InChIInChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+
InChIKeyQMPHZIPNNJOWQI-DUXPYHPUSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Dattelic acid (CHEBI:175271) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid
Manual XrefsDatabases
13198506ChemSpider
HMDB0033999HMDB