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CHEBI:69802 - 6'-O-Caffeoylcatalpol

ChEBI IDCHEBI:69802
ChEBI Name6'-O-Caffeoylcatalpol
Stars
DefinitionA natural product found in Veronica lavaudiana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC24H28O13
Net Charge0
Average Mass524.475
Monoisotopic Mass524.15299
SMILES[H][C@@]1(O[C@@H]2OC=C[C@@]3([H])[C@H](O)[C@]4([H])O[C@]4(CO)[C@@]23[H])O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C24H28O13/c25-9-24-16-11(17(29)21(24)37-24)5-6-33-22(16)36-23-20(32)19(31)18(30)14(35-23)8-34-15(28)4-2-10-1-3-12(26)13(27)7-10/h1-7,11,14,16-23,25-27,29-32H,8-9H2/b4-2+/t11-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24-/m1/s1
InChIKeyKNJZBAUYPCGTFR-UTOUBEBWSA-N
Species of MetaboliteComponentSourceComments
Veronica lavaudiana (ncbitaxon:124267) - PubMed (21568305) MeOH extract of plant material
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
6'-O-Caffeoylcatalpol (CHEBI:69802) has role metabolite (CHEBI:25212)
6'-O-Caffeoylcatalpol (CHEBI:69802) is a hydroxycinnamic acid (CHEBI:24689)
Citations