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gamma-CEHC beta-glucuronide

Properties

Image

Occurences in reactions

MNX_ID

MNXM521811

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

formula

C₂₁H₂₈O₁₀

charge

mass

440.16825

reference

chebi:133148

InChIKey

NOZSTAZEOBPSBY-LWNJIDTBSA-N

InChI

InChI=1S/C21H28O10/c1-9-10(2)17-11(4-6-21(3,31-17)7-5-13(22)23)8-12(9)29-20-16(26)14(24)15(25)18(30-20)19(27)28/h8,14-16,18,20,24-26H,4-7H2,1-3H3,(H,22,23)(H,27,28)/t14-,15-,16+,18-,20+,21?/m0/s1

SMILES

Cc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1C)OC(C)(CCC(=O)O)CC2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:133148 chebi:133148	gamma-CEHC beta-glucuronide 2,7,8-trimethyl-2-(beta-carboxyethyl)-6-hydroxychroman beta-D-glucuronide 2,7,8-trimethyl-2-(beta-carboxyethyl)-6-hydroxychroman beta-glucuronide 2-(2-carboxyethyl)-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-6-yl beta-D-glucopyranosiduronic acid gamma-CEHC beta-D-glucuronide gamma-CEHC glucuronide
CHEBI:133149 chebi:133149	gamma-CEHC beta-glucuronide anion 2,7,8-trimethyl-2-(beta-carboxyethyl)-6-hydroxychroman beta-D-glucuronide anion 2,7,8-trimethyl-2-(beta-carboxyethyl)-6-hydroxychroman beta-glucuronide anion gamma-CEHC beta-D-glucuronide anion gamma-CEHC glucuronide