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CHEBI:73111 - esculin hydrate
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ChEBI Name
esculin hydrate
ChEBI ID
CHEBI:73111
Definition
A hydrate that is the monohydrate form of anhydrous esculin.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
SBeisken
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Formula
C15H18O10
Net Charge
0
Average Mass
358.29740
Monoisotopic Mass
358.09000
InChI
InChI=1S/C15H16O9.H2O/c16-
5-
10-
12(19)
13(20)
14(21)
15(24-
10)
23-
9-
3-
6-
1-
2-
11(18)
22-
8(6)
4-
7(9)
17;/h1-
4,10,12-
17,19-
21H,5H2;1H2/t10-
,12-
,13+,14-
,15-
;/m1./s1
InChIKey
CQYPGSKIFJFVDQ-QWFKVUSTSA-N
SMILES
O.OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O
Roles Classification
Chemical Role
(s):
antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
esculin hydrate (
CHEBI:73111
)
has part
esculin (
CHEBI:4853
)
esculin hydrate (
CHEBI:73111
)
has role
antioxidant (
CHEBI:22586
)
esculin hydrate (
CHEBI:73111
)
is a
hydrate (
CHEBI:35505
)
IUPAC Name
7-hydroxy-2-oxo-2
H
-chromen-6-yl β-
D
-glucopyranoside—water (1/1)
Last Modified
08 April 2013