Feedback

Glycyrrhizinate

MNXM167868 is deprecated and replaced by MNXM164817

Properties

Image

Occurences in reactions

MNX_ID

MNXM164817

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₄₂H₆₂O₁₆

charge

mass

822.40379

reference

keggC:C02284

InChIKey

LPLVUJXQOOQHMX-MOGLOQIBSA-N

InChI

InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35+,38+,39-,40-,41+,42+/m0/s1

SMILES

CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
kegg.compound:C02284 keggC:C02284	Glycyrrhizinate (3beta,20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid Glycyrrhizic acid Glycyrrhizin
kegg.drug:D00157 keggD:D00157	Glycyrrhizin (JAN) Glycyrrhizic acid
seed.compound:cpd01538 seedM:cpd01538	Glycyrrhizin (3beta,20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid Glycyrrhizic acid Glycyrrhizinate glycyrrhizic acid glycyrrhizin glycyrrhizinate glycyrrhizinic acid
metacyc.compound:GLYCYRRHIZINATE metacycM:GLYCYRRHIZINATE	glycyrrhizin glycyrrhizic acid glycyrrhizinate glycyrrhizinic acid
keggC:M_C02284 keggD:M_D00157 seedM:M_cpd01538	secondary/obsolete/fantasy identifier