EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:69803 - 6,6'-Di-O-caffeoylcatalpol

ChEBI IDCHEBI:69803
ChEBI Name6,6'-Di-O-caffeoylcatalpol
Stars
DefinitionA natural product found in Veronica lavaudiana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC33H34O16
Net Charge0
Average Mass686.619
Monoisotopic Mass686.18469
SMILES[H][C@@]1(O[C@@H]2OC=C[C@@]3([H])[C@H](OC(=O)/C=C/c4ccc(O)c(O)c4)[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/C33H34O16/c34-14-33-25-17(29(30(33)49-33)47-24(40)8-4-16-2-6-19(36)21(38)12-16)9-10-44-31(25)48-32-28(43)27(42)26(41)22(46-32)13-45-23(39)7-3-15-1-5-18(35)20(37)11-15/h1-12,17,22,25-32,34-38,41-43H,13-14H2/b7-3+,8-4+/t17-,22-,25-,26-,27+,28-,29+,30+,31+,32+,33-/m1/s1
InChIKeyXCBSVKAYBNIRSG-ASSNFAMTSA-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)
6,6'-Di-O-caffeoylcatalpol (CHEBI:69803) has role metabolite (CHEBI:25212)
6,6'-Di-O-caffeoylcatalpol (CHEBI:69803) is a hydroxycinnamic acid (CHEBI:24689)
Citations