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ChEBI
> Main
CHEBI:53111 - 3-acetyl-7-β-
D
-glucopyranosyloxycoumarin
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ChEBI Ontology
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ChEBI Name
3-acetyl-7-β-
D
-glucopyranosyloxycoumarin
ChEBI ID
CHEBI:53111
ChEBI ASCII Name
3-acetyl-7-beta-D-glucopyranosyloxycoumarin
Definition
A β-
D
-glucoside compound having 3-acetyl-7-hydroxycoumarin as the anomeric substituent.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C17H18O9
Net Charge
0
Average Mass
366.31940
Monoisotopic Mass
366.09508
InChI
InChI=1S/C17H18O9/c1-
7(19)
10-
4-
8-
2-
3-
9(5-
11(8)
25-
16(10)
23)
24-
17-
15(22)
14(21)
13(20)
12(6-
18)
26-
17/h2-
5,12-
15,17-
18,20-
22H,6H2,1H3/t12-
,13-
,14+,15-
,17-
/m1/s1
InChIKey
KYVGMGQCZKBVDT-OWVAZHOYSA-N
SMILES
CC(=O)c1cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2oc1=O
ChEBI Ontology
Outgoing
3-acetyl-7-β-
D
-glucopyranosyloxycoumarin (
CHEBI:53111
)
has functional parent
umbelliferone (
CHEBI:27510
)
3-acetyl-7-β-
D
-glucopyranosyloxycoumarin (
CHEBI:53111
)
is a
β-
D
-glucoside (
CHEBI:22798
)
IUPAC Name
3-acetyl-2-oxo-2
H
-chromen-7-yl β-
D
-glucopyranoside
Registry Numbers
Types
Sources
1268871
Reaxys Registry Number
Reaxys
1268871
Beilstein Registry Number
Beilstein
Citations
Types
Sources
10771133
PubMed citation
Europe PMC
9540973
PubMed citation
Europe PMC
Last Modified
20 May 2013