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esculin

Properties

Image

Occurences in reactions

MNX_ID

MNXM1092959

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	3

formula

C₁₅H₁₆O₉

charge

mass

340.07943

reference

InChIKey

XHCADAYNFIFUHF-TVKJYDDYSA-N

InChI

InChI=1S/C15H16O9/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/t10-,12-,13+,14-,15-/m1/s1

SMILES

O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:4853 chebi:4853	esculin 6,7-Dihydroxycoumarin 6-glucoside 6,7-Dihydroxycoumarin-6-O-glucoside 6-(beta-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one 6-(beta-D-Glucopyranosyloxy)-7-hydroxy-cumarin 7-Hydroxy-6-glucosyloxy-2H-chromene 7-hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside Aesculin Esculetin 6-O-glucoside Esculin Esculoside esculetin 6-beta-D-glucoside
bigg.metabolite:escul biggM:escul	Esculin
seed.compound:cpd06159 seedM:cpd06159	Esculin 7-hydroxy-6-cumarinyl-glucosid Esculoside aesculin esculetin glukosid esculin
sabiork.compound:11354 sabiorkM:11354 kegg.compound:C09264 keggC:C09264	Esculin Esculoside
metacyc.compound:CPD-14461 metacycM:CPD-14461	esculin 7-hydroxy-6-cumarinyl-glucosid aesculin esculetin glukosid
biggM:M_escul keggC:M_C09264 seedM:M_cpd06159	secondary/obsolete/fantasy identifier