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ChEBI
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CHEBI:86959 - veratrone
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ChEBI Name
veratrone
ChEBI ID
CHEBI:86959
Definition
An aromatic ketone that is propanone substituted by a 3,4-dimethoxyphenyl group at position 1, a hydroxy group at position 3 and a 2-methoxyphenoxy group at position 2 respectively.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C18H20O6
Net Charge
0
Average Mass
332.34780
Monoisotopic Mass
332.12599
InChI
InChI=1S/C18H20O6/c1-
21-
13-
6-
4-
5-
7-
15(13)
24-
17(11-
19)
18(20)
12-
8-
9-
14(22-
2)
16(10-
12)
23-
3/h4-
10,17,19H,11H2,1-
3H3
InChIKey
LILXBGDHLUCSNI-UHFFFAOYSA-N
SMILES
COc1ccccc1OC(CO)C(=O)c1ccc(OC)c(OC)c1
ChEBI Ontology
Outgoing
veratrone (
CHEBI:86959
)
is a
aromatic ketone (
CHEBI:76224
)
veratrone (
CHEBI:86959
)
is a
dimethoxybenzene (
CHEBI:51681
)
veratrone (
CHEBI:86959
)
is a
primary alcohol (
CHEBI:15734
)
Incoming
veratrone acetate (
CHEBI:86960
)
has functional parent
veratrone (
CHEBI:86959
)
IUPAC Name
1-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one
Last Modified
27 July 2015