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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:55549 - dalpatein
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ChEBI Ontology
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ChEBI Name
dalpatein
ChEBI ID
CHEBI:55549
Definition
An methoxyisoflavone having methoxy substituents at the 6- and 2'-positions, a hydroxy group at position 7 and a methylenedioxy moiety at the 4'- and 5'-positions.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C18H14O7
Net Charge
0
Average Mass
342.29960
Monoisotopic Mass
342.07395
InChI
InChI=1S/C18H14O7/c1-
21-
13-
6-
17-
16(24-
8-
25-
17)
3-
9(13)
11-
7-
23-
14-
5-
12(19)
15(22-
2)
4-
10(14)
18(11)
20/h3-
7,19H,8H2,1-
2H3
InChIKey
GYUPEJCNVAKZSU-UHFFFAOYSA-N
SMILES
COc1cc2c(cc1O)occ(-c1cc3OCOc3cc1OC)c2=O
ChEBI Ontology
Outgoing
dalpatein (
CHEBI:55549
)
has functional parent
isoflavone (
CHEBI:18220
)
dalpatein (
CHEBI:55549
)
is a
7-hydroxyisoflavones (
CHEBI:55465
)
dalpatein (
CHEBI:55549
)
is a
benzodioxoles (
CHEBI:38298
)
dalpatein (
CHEBI:55549
)
is a
methoxyisoflavone (
CHEBI:38756
)
dalpatein (
CHEBI:55549
)
is conjugate acid of
dalpatein(1−) (
CHEBI:83856
)
Incoming
dalpatein(1−) (
CHEBI:83856
)
is conjugate base of
dalpatein (
CHEBI:55549
)
IUPAC Name
7-hydroxy-6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4
H
-chromen-4-one
Manual Xrefs
Databases
CPD-9710
MetaCyc
LMPK12050124
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1440356
Beilstein Registry Number
Beilstein
1440356
Reaxys Registry Number
Reaxys
Last Modified
14 July 2016