Catalog Number:
AG001B0N
Chemical Name:
Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt
CAS Number:
139427-57-9
Molecular Formula:
C16H20N2O7
Molecular Weight:
352.3392
IUPAC Name:
3,4,5-trihydroxy-6-[3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl]oxane-2-carboxylate
InChI:
InChI=1S/C16H20N2O7/c1-17-9(4-5-10(17)19)8-3-2-6-18(7-8)15-13(22)11(20)12(21)14(25-15)16(23)24/h2-3,6-7,9,11-15,20-22H,4-5H2,1H3
InChI Key:
XWZCZWKUGIQPJD-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1OC([n+]2cccc(c2)C2CCC(=O)N2C)C(C(C1O)O)O