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4-O-alpha-D-Galactopyranosylcalystegine B2

Properties

Image

Occurences in reactions

MNX_ID

MNXM118005

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

formula

C₁₃H₂₃NO₉

charge

mass

337.13728

reference

InChIKey

IWKGAFMTKIYREN-UHFFFAOYSA-N

InChI

InChI=1S/C13H23NO9/c15-3-5-6(16)7(17)8(18)12(22-5)23-10-4-1-2-13(21,14-4)11(20)9(10)19/h4-12,14-21H,1-3H2

SMILES

OCC1OC(OC2C3CCC(O)(N3)C(O)C2O)C(O)C(O)C1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:168961 chebi:168961	4-O-alpha-D-Galactopyranosylcalystegine B2 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-azabicyclo[3.2.1]octane-1,2,3-triol
hmdb:HMDB0038228	4-O-alpha-D-Galactopyranosylcalystegine B2 4-O-a-D-Galactopyranosylcalystegine b2 4-O-alpha-D-galactopyranosylcalystegine b2 4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-azabicyclo[3.2.1]octane-1,2,3-triol
hmdb:HMDB38228	secondary/obsolete/fantasy identifier