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1-O-(4-aminobenzoyl)-beta-D-glucose

PropertiesImage
MNX_IDMNXM20163 Image of MNXM20163
referencechebi:139329
formulaC13H17NO7
global charge0
mol weight299.279
InChIKeyDZWLQKNUQNGEPR-HMUNZLOLSA-N
InChIInChI=1S/C13H17NO7/c14-7-3-1-6(2-4-7)12(19)21-13-11(18)10(17)9(16)8(5-15)20-13/h1-4,8-11,13,15-18H,5,14H2/t8-,9-,10+,11-,13+/m1/s1
SMILESNC1=CC=C(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1
MNX internals
InChI (mnx)InChI=1/C13H17NO7/c14-7-3-1-6(2-4-7)12(19)21-13-11(18)10(17)9(16)8(5-15)20-13/h1-4,8-11,13,15-18H,5,14H2/t8-,9-,10+,11-,13+/m1/s1 Image of MNXM20163
SMILES (mnx)[CH:1]1=[CH:3][C:7]([NH2:14])=[CH:4][CH:2]=[C:6]1[C:12](=[O:19])[O:21][C@H:13]1[C@H:11]([OH:18])[C@@H:10]([OH:17])[C@H:9]([OH:16])[C@@H:8]([CH2:5][OH:15])[O:20]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:139329
chebi:139329
DZWLQKNUQNGEPR-HMUNZLOLSA-N
1-O-(4-aminobenzoyl)-beta-D-glucose
1-O-(4-aminobenzoyl)-beta-D-glucopyranose
p-aminobenzoate-beta-D-glucopyranosyl ester

seed.compound:cpd24597
seedM:cpd24597
DZWLQKNUQNGEPR-HMUNZLOLSA-N
p-PAPA-Glc
p-aminobenzoate-beta-D-glucopyranosyl ester

metacyc.compound:CPD-5804
metacycM:CPD-5804
DZWLQKNUQNGEPR-HMUNZLOLSA-N
p-aminobenzoate-beta-D-glucopyranosyl ester
p-PAPA-Glc

seedM:M_cpd24597
secondary/obsolete/fantasy identifier