p-hydroxymesocarb glucuronide (Q27272318)

Hydroxymesocarb glucuronide (English)

14 October 2016

chemical formula

C₂₄H₂₆N₄O₉

1 reference

Hydroxymesocarb glucuronide (English)

14 October 2016

canonical SMILES

CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=O)NC3=CC=C(C=C3)OC4C(C(C(C(O4)C(=O)[O-])O)O)O

1 reference

Hydroxymesocarb glucuronide (English)

14 October 2016

isomeric SMILES

CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=O)NC3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O

1 reference

Hydroxymesocarb glucuronide (English)

InChI=1S/C24H26N4O9/c1-13(11-14-5-3-2-4-6-14)28-12-17(37-27-28)26-24(34)25-15-7-9-16(10-8-15)35-23-20(31)18(29)19(30)21(36-23)22(32)33/h2-10,12-13,18-21,23,29-31H,11H2,1H3,(H2-,25,26,27,32,33,34)/t13?,18-,19-,20+,21-,23+/m0/s1

14 October 2016

Identifiers

InChI

1 reference

Hydroxymesocarb glucuronide (English)

DDQZEULADNPLPC-NHTXKFPZSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Hydroxymesocarb glucuronide (English)

14 October 2016

1 reference

UNII

9BI734O27D

p-hydroxymesocarb glucuronide (English)

14 October 2016

1 reference

4-({[3-(1-Phenyl-2-propanyl)-1,2,3-oxadiazol-3-ium-5-yl]carbamoyl}amino)phenyl beta-D-glucopyranosiduronate (English)

14 October 2016

2 references

Hydroxymesocarb glucuronide (English)

matched by identifier from

14 October 2016

InChIKey

DDQZEULADNPLPC-NHTXKFPZSA-N

1 reference

2 references

Global Substance Registration System

UNII

9BI734O27D

p-hydroxymesocarb glucuronide (English)