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daphnin

Properties

Image

Occurences in reactions

MNX_ID

MNXM4561

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₅H₁₆O₉

charge

mass

340.07943

reference

InChIKey

HOIXTKAYCMNVMY-PVOAASPHSA-N

InChI

InChI=1S/C15H16O9/c16-5-8-10(18)12(20)13(21)15(23-8)22-7-3-1-6-2-4-9(17)24-14(6)11(7)19/h1-4,8,10,12-13,15-16,18-21H,5H2/t8-,10-,12+,13-,15-/m1/s1

SMILES

O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2o1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17989 chebi:17989	daphnin 7-(beta-D-glucopyranosyloxy)-8-hydroxy-2H-chromen-2-one 7-(beta-D-glucopyranosyloxy)-8-hydroxycoumarin 7-beta-D-glucopyranosyloxy-8-hydroxy-2H-1-benzopyran-2-one 8-hydroxy-2-oxo-2H-chromen-7-yl beta-D-glucopyranoside Daphnin
kegg.compound:C01421 keggC:C01421	Daphnin
seed.compound:cpd01019 seedM:cpd01019	Daphnin 7-(beta-D-glucopyranosyloxy)-8-hydroxycoumarin daphnin
metacyc.compound:DAPHNIN metacycM:DAPHNIN	daphnin 7-(beta-D-glucopyranosyloxy)-8-hydroxycoumarin
chebi:14096 chebi:23561 chebi:4322 keggC:M_C01421 seedM:M_cpd01019	secondary/obsolete/fantasy identifier