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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:69803 - 6,6'-Di-O-caffeoylcatalpol
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ChEBI Ontology
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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.
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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 (Br
o
nsted 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
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);