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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:69798 - verproside
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ChEBI Ontology
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ChEBI Name
verproside
ChEBI ID
CHEBI:69798
Definition
A natural product found in
Veronica lavaudiana
.
Stars
This entity has been manually annotated by a third party.
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Formula
C22H26O13
Net Charge
0
Average Mass
498.43400
Monoisotopic Mass
498.13734
InChI
InChI=1S/C22H26O13/c23-
6-
12-
14(27)
15(28)
16(29)
21(32-
12)
34-
20-
13-
9(3-
4-
31-
20)
17(18-
22(13,7-
24)
35-
18)
33-
19(30)
8-
1-
2-
10(25)
11(26)
5-
8/h1-
5,9,12-
18,20-
21,23-
29H,6-
7H2/t9-
,12-
,13-
,14-
,15+,16-
,17+,18+,20+,21+,22-
/m1/s1
InChIKey
DBUOUVZMYWYRRI-YWEKDMGLSA-N
SMILES
[H]
[C@]
1(O[C@H]
(CO)
[C@@H]
(O)
[C@H]
(O)
[C@H]
1O)
O[C@@H]
1OC=C[C@@]
2([H]
)
[C@H]
(OC(=O)
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
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
verproside (
CHEBI:69798
)
has role
metabolite (
CHEBI:25212
)
verproside (
CHEBI:69798
)
is a
glycoside (
CHEBI:24400
)
Synonym
Source
(1aS,1bS,2S,5aR,6S,6aS)-
2-
(beta-
D-
Glucopyranosyloxy)-
1a-
(hydroxymethyl)-
1a,1b,2,5a,6,6a-
hexahydrooxireno[4,5]cyclopenta[1,2-
c]pyran-
6-
yl 3,4-
dihydroxybenzoate
ChEBI
Citation
Type
Source
21568305
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:hexose(CHEBI:18133); ISA:benzoate ester(CHEBI:36054); ISA:hydroxybenzoic acid(CHEBI:24676); ISA:benzyl ether(CHEBI:59859); ISA:catechols(CHEBI:33566); ISA:carbonyl compound(CHEBI:36586); ISA:oxanes(CHEBI:46942); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:epoxide(CHEBI:32955); ISA:aromatic alcohol(CHEBI:33854); ISA:primary alcohol(CHEBI:15734);