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esculin

PropertiesImage
MNX_IDMNXM1363624 Image of MNXM1363624
referencechebi:4853
formulaC15H16O9
global charge0
mol weight340.284
InChIKeyXHCADAYNFIFUHF-TVKJYDDYSA-N
InChIInChI=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
SMILESO=C1C=CC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C=C2O1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1363624
SMILES (mnx)[CH:1]1=[CH:2][C:11](=[O:18])[O:22][C:8]2=[CH:4][C:7]([OH:17])=[C:9]([O:23][C@H:15]3[C@H:14]([OH:21])[C@@H:13]([OH:20])[C@H:12]([OH:19])[C@@H:10]([CH2:5][OH:16])[O:24]3)[CH:3]=[C:6]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:4853
chebi:4853
XHCADAYNFIFUHF-TVKJYDDYSA-N 		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
hmdb:HMDB0030820
XHCADAYNFIFUHF-TVKJYDDYSA-N 		Aesculin
(-)-Esculin
(-)-esculin
6,7-Dihydroxycoumarin 6-glucoside
6,7-Dihydroxycoumarin-6-O-glucoside
6-(b-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one
6-(b-D-Glucopyranosyloxy)-7-hydroxy-cumarin
6-(beta-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one
6-(beta-D-Glucopyranosyloxy)-7-hydroxy-cumarin
6-(beta-D-Glucopyranosyloxy)-7-hydroxycoumarin
6-(beta-D-glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one
6-(beta-D-glucopyranosyloxy)-7-hydroxy-cumarin
6-(beta-D-glucopyranosyloxy)-7-hydroxycoumarin
7-Hydroxy-6-glucosyloxy-2H-chromene
7-hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one
Esculetin 6-O-glucoside
Esculetin 6-b-D-glucoside
Esculetin 6-beta-D-glucoside
Esculin
Esculine
Esculoside
Venoplant

bigg.metabolite:escul
biggM:escul
XHCADAYNFIFUHF-TVKJYDDYSA-N 		Esculin

seed.compound:cpd06159
seedM:cpd06159
XHCADAYNFIFUHF-TVKJYDDYSA-N 		Esculin
7-hydroxy-6-cumarinyl-glucosid
Esculoside
aesculin
esculetin glukosid
esculin

sabiork.compound:11354
sabiorkM:11354
kegg.compound:C09264
keggC:C09264
XHCADAYNFIFUHF-TVKJYDDYSA-N 		Esculin
Esculoside

metacyc.compound:CPD-14461
metacycM:CPD-14461
XHCADAYNFIFUHF-TVKJYDDYSA-N 		esculin
7-hydroxy-6-cumarinyl-glucosid
aesculin
esculetin glukosid

hmdb:HMDB30820
biggM:M_escul
keggC:M_C09264
seedM:M_cpd06159 		secondary/obsolete/fantasy identifier