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daphnin

PropertiesImage
MNX_IDMNXM4561 Image of MNXM4561
referencechebi:17989
formulaC15H16O9
global charge0
mol weight340.284
InChIKeyHOIXTKAYCMNVMY-PVOAASPHSA-N
InChIInChI=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
SMILESO=C1C=CC2=CC=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(O)=C2O1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM4561
SMILES (mnx)[CH:1]1=[CH:3][C:7]([O:22][C@H:15]2[C@H:13]([OH:21])[C@@H:12]([OH:20])[C@H:10]([OH:18])[C@@H:8]([CH2:5][OH:16])[O:23]2)=[C:11]([OH:19])[C:14]2=[C:6]1[CH:2]=[CH:4][C:9](=[O:17])[O:24]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17989
chebi:17989
HOIXTKAYCMNVMY-PVOAASPHSA-N 		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
HOIXTKAYCMNVMY-PVOAASPHSA-N 		Daphnin

seed.compound:cpd01019
seedM:cpd01019
HOIXTKAYCMNVMY-PVOAASPHSA-N 		Daphnin
7-(beta-D-glucopyranosyloxy)-8-hydroxycoumarin
daphnin

metacyc.compound:DAPHNIN
metacycM:DAPHNIN
HOIXTKAYCMNVMY-PVOAASPHSA-N 		daphnin
7-(beta-D-glucopyranosyloxy)-8-hydroxycoumarin

chebi:14096
chebi:23561
chebi:4322
keggC:M_C01421
seedM:M_cpd01019 		secondary/obsolete/fantasy identifier