EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:147305 - 2,3,5-tricaffeoylaltraric acid

ChEBI IDCHEBI:147305
ChEBI Name2,3,5-tricaffeoylaltraric acid
Stars
Last Modified7 November 2024
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-/m1/s1
InChIKeyVMAVVUMWBGQKDI-IHQARNGASA-N
Species of MetaboliteComponentSourceComments
Espeletia (ncbitaxon:185152) leaf (BTO:0000713) MetaboLights (MTBLS933)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2,3,5-tricaffeoylaltraric acid (CHEBI:147305) is a triicaffeoylaltraric acid (CHEBI:147325)