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> Main
CHEBI:66346 - vaccihein A
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ChEBI Name
vaccihein A
ChEBI ID
CHEBI:66346
Definition
A benzoate ester that is methyl (2,4-dihydroxyphenyl)acetate attached to a (4-hydroxy-3,5-dimethoxybenzoyl)oxy group. Isolated from
Vaccinium ashei
, it exhibits antioxidant activity.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H18O9
Net Charge
0
Average Mass
378.33010
Monoisotopic Mass
378.09508
InChI
InChI=1S/C18H18O9/c1-
24-
14-
4-
9(5-
15(25-
2)
17(14)
22)
18(23)
27-
13-
7-
10(19)
6-
12(20)
11(13)
8-
16(21)
26-
3/h4-
7,19-
20,22H,8H2,1-
3H3
InChIKey
HTYXVCATPMWMSN-UHFFFAOYSA-N
SMILES
COC(=O)Cc1c(O)cc(O)cc1OC(=O)c1cc(OC)c(O)c(OC)c1
Metabolite of Species
Details
Vaccinium ashei
(IPNI:261790-2)
Found in fruit
(BTO:0000486)
. See:
PubMed
Roles Classification
Chemical Role
(s):
antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
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
vaccihein A (
CHEBI:66346
)
has role
antioxidant (
CHEBI:22586
)
vaccihein A (
CHEBI:66346
)
has role
metabolite (
CHEBI:25212
)
vaccihein A (
CHEBI:66346
)
is a
benzoate ester (
CHEBI:36054
)
vaccihein A (
CHEBI:66346
)
is a
dimethoxybenzene (
CHEBI:51681
)
vaccihein A (
CHEBI:66346
)
is a
methyl ester (
CHEBI:25248
)
vaccihein A (
CHEBI:66346
)
is a
resorcinols (
CHEBI:33572
)
IUPAC Name
3,5-dihydroxy-2-(2-methoxy-2-oxoethyl)phenyl 4-hydroxy-3,5-dimethoxybenzoate
Synonym
Source
methyl 2-(3,5-dimethoxy-4-hydroxybenzoyloxy)-4,6-dihydroxyphenyl acetate
ChEBI
Registry Number
Type
Source
9293144
Reaxys Registry Number
Reaxys
Citation
Type
Source
12372879
PubMed citation
Europe PMC
Last Modified
14 April 2015