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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:69801 - minecoside
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ChEBI Ontology
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ChEBI Name
minecoside
ChEBI ID
CHEBI:69801
Definition
A natural product found in
Veronica lavaudiana
.
Stars
This entity has been manually annotated by a third party.
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Formula
C25H30O13
Net Charge
0
Average Mass
538.49790
Monoisotopic Mass
538.16864
InChI
InChI=1S/C25H30O13/c1-
33-
14-
4-
2-
11(8-
13(14)
28)
3-
5-
16(29)
36-
21-
12-
6-
7-
34-
23(17(12)
25(10-
27)
22(21)
38-
25)
37-
24-
20(32)
19(31)
18(30)
15(9-
26)
35-
24/h2-
8,12,15,17-
24,26-
28,30-
32H,9-
10H2,1H3/b5-
3+/t12-
,15-
,17-
,18-
,19+,20-
,21+,22+,23+,24+,25-
/m1/s1
InChIKey
LRHHPZILMPIMIY-GGKKSNITSA-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)
\C=C\c3ccc(OC)
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
minecoside (
CHEBI:69801
)
has role
metabolite (
CHEBI:25212
)
minecoside (
CHEBI:69801
)
is a
hydroxycinnamic acid (
CHEBI:24689
)
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 (2E)-
3-
(3-
hydroxy-
4-
methoxyphenyl)acrylate
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:cinnamate ester(CHEBI:36087); ISA:glycoside(CHEBI:24400); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:olefinic compound(CHEBI:78840); ISA:styrenes(CHEBI:26799); ISA:fatty acid ester(CHEBI:35748); ISA:aromatic ether(CHEBI:35618); ISA:oxanes(CHEBI:46942); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:epoxide(CHEBI:32955); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:acetal(CHEBI:59769); ISA:ether(CHEBI:25698); ISA:primary alcohol(CHEBI:15734); ISA:aromatic alcohol(CHEBI:33854); ISA:carbonyl compound(CHEBI:36586);