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CHEBI:141139 - 2,4,5-tricaffeoylaltraric acid

ChEBI IDCHEBI:141139
ChEBI Name2,4,5-tricaffeoylaltraric acid
Stars
Last Modified26 March 2020
Submittermwilliams
DownloadsMolfile
FormulaC33H28O17
Net Charge0
Average Mass696.570
Monoisotopic Mass696.13265
SMILESO=C(O)[C@](O)(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H](O)[C@@](O)(C(=O)/C=C/c1ccc(O)c(O)c1)[C@](O)(C(=O)O)C(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C33H28O17/c34-19-7-1-16(13-22(19)37)4-10-25(40)31(48,29(44)45)28(43)32(49,26(41)11-5-17-2-8-20(35)23(38)14-17)33(50,30(46)47)27(42)12-6-18-3-9-21(36)24(39)15-18/h1-15,28,34-39,43,48-50H,(H,44,45)(H,46,47)/b10-4+,11-5+,12-6+/t28-,31-,32-,33+/m0/s1
InChIKeyVMAVVUMWBGQKDI-HHSWIUEXSA-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)
2,4,5-tricaffeoylaltraric acid (CHEBI:141139) is a triicaffeoylaltraric acid (CHEBI:147325)