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ID	http://purl.obolibrary.org/obo/CHEBI_15939 http://purl.obolibrary.org/obo/CHEBI_15939 https://agroportal.lirmm.fr/ontologies/CDNO/CHEBI_15939 Loading
Preferred name	glycyrrhizinic acid
Synonyms	30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-beta-D-glucopyranosyluronic acid)-alpha-D-glucopyranosiduronic acid Glycyrrhizic acid Glycyrrhizin glycyrrhizic acid (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid
Definitions	A triterpenoid saponin that is the glucosiduronide derivative of 3beta-hydroxy-11-oxoolean-12-en-30-oic acid.

rdf:type	http://www.w3.org/2002/07/owl#Class Loading
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_26873 Loading
rdfs:label	glycyrrhizinic acid glycyrrhizinic acid
skos:notation	CHEBI:15939
obo_purl:IAO_0000115	A triterpenoid saponin that is the glucosiduronide derivative of 3beta-hydroxy-11-oxoolean-12-en-30-oic acid.
oboinowl_gen:hasExactSynonym	30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-beta-D-glucopyranosyluronic acid)-alpha-D-glucopyranosiduronic acid
oboinowl_gen:hasDbXref	Beilstein:77922 CAS:1405-86-3 Drug_Central:1325 HMDB:HMDB0029843 KEGG:C02284 LIPID_MAPS_instance:LMPR0106150013 MetaCyc:GLYCYRRHIZINATE PMID:11282481 PMID:15013279 PMID:24497916 Reaxys:77922 Wikipedia:Glycyrrhizin See more See less
oboinowl_gen:hasOBONamespace	chebi_ontology
oboinowl_gen:id	CHEBI:15939
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR Loading
oboinowl_gen:hasRelatedSynonym	Glycyrrhizic acid Glycyrrhizin glycyrrhizic acid (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid
oboinowl_gen:hasAlternativeId	CHEBI:24418 CHEBI:5508
obo_purl:charge	0
obo_purl:formula	C42H62O16
obo_purl: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
obo_purl:inchikey	LPLVUJXQOOQHMX-QWBHMCJMSA-N
obo_purl:mass	822.93210
obo_purl:monoisotopicmass	822.40379
obo_purl:smiles	[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O

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