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> Main
CHEBI:79614 - coumestrol diacetate
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ChEBI Ontology
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ChEBI Name
coumestrol diacetate
ChEBI ID
CHEBI:79614
Definition
A member of the class of coumestans that is the diacetate ester derivative of coumestrol.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C19H12O7
Net Charge
0
Average Mass
352.29440
Monoisotopic Mass
352.05830
InChI
InChI=1S/C19H12O7/c1-
9(20)
23-
11-
3-
5-
13-
15(7-
11)
25-
18-
14-
6-
4-
12(24-
10(2)
21)
8-
16(14)
26-
19(22)
17(13)
18/h3-
8H,1-
2H3
InChIKey
AHOLUZZXIVWXQQ-UHFFFAOYSA-N
SMILES
CC(=O)Oc1ccc2c(c1)oc1c2c(=O)oc2cc(OC(C)=O)ccc12
ChEBI Ontology
Outgoing
coumestrol diacetate (
CHEBI:79614
)
has functional parent
coumestrol (
CHEBI:3908
)
coumestrol diacetate (
CHEBI:79614
)
is a
δ-lactone (
CHEBI:18946
)
coumestrol diacetate (
CHEBI:79614
)
is a
acetate ester (
CHEBI:47622
)
coumestrol diacetate (
CHEBI:79614
)
is a
coumestans (
CHEBI:72577
)
IUPAC Name
6-oxo-6
H
-[1]benzofuro[3,2-
c
][1]benzopyran-3,9-diyl diacetate
Manual Xref
Database
C15095
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
346826
Reaxys Registry Number
Reaxys
35826-57-4
CAS Registry Number
ChemIDplus
Citation
Type
Source
14089631
PubMed citation
Europe PMC
Last Modified
12 June 2015