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> Main
CHEBI:86960 - veratrone acetate
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ChEBI Name
veratrone acetate
ChEBI ID
CHEBI:86960
Definition
An acetate ester obtained by the formal condensation of the hydroxy group of veratrone with acetic acid.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C20H22O7
Net Charge
0
Average Mass
374.38450
Monoisotopic Mass
374.13655
InChI
InChI=1S/C20H22O7/c1-
13(21)
26-
12-
19(27-
17-
8-
6-
5-
7-
15(17)
23-
2)
20(22)
14-
9-
10-
16(24-
3)
18(11-
14)
25-
4/h5-
11,19H,12H2,1-
4H3
InChIKey
ODPYOMZIVHDXSD-UHFFFAOYSA-N
SMILES
COc1ccccc1OC(COC(C)=O)C(=O)c1ccc(OC)c(OC)c1
ChEBI Ontology
Outgoing
veratrone acetate (
CHEBI:86960
)
has functional parent
veratrone (
CHEBI:86959
)
veratrone acetate (
CHEBI:86960
)
is a
acetate ester (
CHEBI:47622
)
veratrone acetate (
CHEBI:86960
)
is a
aromatic ketone (
CHEBI:76224
)
veratrone acetate (
CHEBI:86960
)
is a
dimethoxybenzene (
CHEBI:51681
)
IUPAC Name
3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)-3-oxopropyl acetate
Last Modified
27 July 2015