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p-Nitrophenyl-beta-D-glucuronide

PropertiesImage
MNX_IDMNXM739320 Image of MNXM739320
referencesabiorkM:18853
formulaC12H13NO9
global charge0
mol weight315.234
InChIKeyQSUILVWOWLUOEU-UHFFFAOYSA-N
InChIInChI=1S/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)
SMILESO=C(O)C1OC(OC2=CC=C([N+](=O)[O-])C=C2)C(O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)/t7?,8?,9?,10?,12? Image of MNXM739320
SMILES (mnx)[CH:1]1=[CH:3][C:6]([O:21][CH:12]2[CH:9]([OH:16])[CH:7]([OH:14])[CH:8]([OH:15])[CH:10]([C:11](=[O:17])[OH:18])[O:22]2)=[CH:4][CH:2]=[C:5]1[N+:13]([O-:19])=[O:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

sabiork.compound:18853
sabiorkM:18853
QSUILVWOWLUOEU-UHFFFAOYSA-N 		p-Nitrophenyl-beta-D-glucuronide
hmdb:HMDB0244304
QSUILVWOWLUOEU-UHFFFAOYSA-N 		4-Nitrophenyl beta-D-glucopyranosiduronic acid
3,4,5-Trihydroxy-6-(4-nitrophenoxy)oxane-2-carboxylate
3,4,5-trihydroxy-6-(4-nitrophenoxy)oxane-2-carboxylic acid
4-Nitrophenyl b-D-glucopyranosiduronate
4-Nitrophenyl b-D-glucopyranosiduronic acid
4-Nitrophenyl beta-D-glucopyranosiduronate
4-Nitrophenylglucuronide
Para-nitrophenylglucuronide
p-Nitrophenylglucuronide