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CHEBI:141134 - 3,5-dicaffeoylaltraric acid

ChEBI IDCHEBI:141134
ChEBI Name3,5-dicaffeoylaltraric acid
Stars
Last Modified26 March 2020
Submittermwilliams
DownloadsMolfile
FormulaC24H22O14
Net Charge0
Average Mass534.426
Monoisotopic Mass534.10096
SMILESO=C(O)[C@@H](O)[C@@](O)(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H](O)[C@](O)(C(=O)O)C(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C24H22O14/c25-13-5-1-11(9-15(13)27)3-7-17(29)23(37,19(31)20(32)33)21(34)24(38,22(35)36)18(30)8-4-12-2-6-14(26)16(28)10-12/h1-10,19,21,25-28,31,34,37-38H,(H,32,33)(H,35,36)/b7-3+,8-4+/t19-,21+,23+,24+/m1/s1
InChIKeyZZLBYYRYDLSANK-PKKGYAMASA-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)
3,5-dicaffeoylaltraric acid (CHEBI:141134) is a dicaffeoylaltraric acid (CHEBI:147324)