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beta-isosalicin

Properties

Image

Occurences in reactions

MNX_ID

MNXM126963

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

formula

C₁₃H₁₈O₇

charge

mass

286.10525

reference

InChIKey

VBSPBYNZPRRGSB-UJPOAAIJSA-N

InChI

InChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-3-1-2-4-8(7)15/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1

SMILES

OC[C@H]1O[C@@H](OCc2ccccc2O)[C@H](O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:153572 chebi:153572	beta-isosalicin (2-hydroxyphenyl)methyl beta-D-glucopyranoside (2R,3R,4S,5S,6R)-2-[(2-hydroxybenzyl)oxy]-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol 2-(beta-D-glucopyranosyloxymethyl)phenol 2-hydroxybenzyl beta-D-glucopyranoside isosalicin
hmdb:HMDB0034023	Isosalicin 1-Methyl-4-cyanobenzene 2-(hydroxymethyl)-6-[(2-hydroxyphenyl)methoxy]oxane-3,4,5-triol 4-Cyanotoluene 4-Methyl-benzonitrile 4-Methylbenzonitrile 4-Methylcyanobenzene 4-Toluenkarbonitril 4-Tolunitrile Nitril kyseliny p-toluylove p-Cyanotoluene p-Methylbenzonitrile p-Toluenenitrile p-Toluic nitrile p-Tolunitril p-Tolunitrile p-Toluonitrile p-Tolylnitrile
hmdb:HMDB34023	secondary/obsolete/fantasy identifier