Feedback

1-salicylate glucuronide

Properties

Image

Occurences in reactions

MNX_ID

MNXM33000

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

formula

C₁₃H₁₄O₉

charge

mass

314.06378

reference

InChIKey

JSCWDKKMLIQCMR-CDHFTJPESA-N

InChI

InChI=1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-4-2-1-3-5(6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)/t7-,8-,9+,10-,13+/m0/s1

SMILES

O=C(O)c1ccccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:73961 chebi:73961	1-salicylate glucuronide 2-carboxyphenyl beta-D-glucopyranosiduronic acid
hmdb:HMDB0010313	1-Salicylate glucuronide (2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 1-Salicylic acid glucuronide 1-salicylate glucuronide Phenolic sa glucuronide Salicyl phenolic glucuronide Salicylphenolic glucuronide
CHEBI:176976 chebi:176976	1-salicylate O-glucuronide(1-)
hmdb:HMDB0126557	6-(2-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 6-(2-Carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylate
hmdb:HMDB10313	secondary/obsolete/fantasy identifier