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

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ChEBI Name 6,6'-Di-O-caffeoylcatalpol
ChEBI ID CHEBI:69803
Definition A natural product found in Veronica lavaudiana.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C33H34O16
Net Charge 0
Average Mass 686.61350
Monoisotopic Mass 686.18469
InChI InChI=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
InChIKey XCBSVKAYBNIRSG-ASSNFAMTSA-N
SMILES [H][C@]1(O[C@H](COC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C[C@@]2([H])[C@H](OC(=O)\C=C\c3ccc(O)c(O)c3)[C@]3([H])O[C@]3(CO)[C@@]12[H]
Metabolite of Species Details
Veronica lavaudiana (NCBI:txid124267) MeOH extract of plant material See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
Citation Waiting for Citations Type Source
21568305 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:cinnamate ester(CHEBI:36087); ISA:glycoside(CHEBI:24400); ISA:olefinic compound(CHEBI:78840); ISA:catechols(CHEBI:33566); ISA:styrenes(CHEBI:26799); ISA:fatty acid ester(CHEBI:35748); ISA:dicarboxylic acid(CHEBI:35692); ISA:monosaccharide(CHEBI:35381); ISA:oxanes(CHEBI:46942); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:ether(CHEBI:25698); ISA:acetal(CHEBI:59769); ISA:organonitrogen compound(CHEBI:35352); ISA:epoxide(CHEBI:32955); ISA:aromatic alcohol(CHEBI:33854); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);