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
Supplier Information
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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-2H-chromen-6-yl β-D-glucopyranoside—water (1/1)
Last Modified
08 April 2013