<?xml version="1.0" encoding="UTF-8"?> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:obo_purl="http://purl.obolibrary.org/obo/" xmlns:owl="http://www.w3.org/2002/07/owl#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#" xmlns:metadata_def="http://data.bioontology.org/metadata/def/"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_15939"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_26873"/> <rdfs:label>glycyrrhizinic acid</rdfs:label> <rdfs:label rdf:datatype="http://www.w3.org/XML/1998/namespacestring">glycyrrhizinic acid</rdfs:label> <skos:notation>CHEBI:15939</skos:notation> <obo_purl:IAO_0000115>A triterpenoid saponin that is the glucosiduronide derivative of 3beta-hydroxy-11-oxoolean-12-en-30-oic acid.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-beta-D-glucopyranosyluronic acid)-alpha-D-glucopyranosiduronic acid</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasDbXref>Beilstein:77922</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CAS:1405-86-3</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Drug_Central:1325</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>HMDB:HMDB0029843</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KEGG:C02284</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>LIPID_MAPS_instance:LMPR0106150013</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>MetaCyc:GLYCYRRHIZINATE</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:11282481</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:15013279</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:24497916</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:77922</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Wikipedia:Glycyrrhizin</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:15939</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <metadata_def:prefLabel>glycyrrhizinic acid</metadata_def:prefLabel> <oboinowl_gen:hasRelatedSynonym>Glycyrrhizic acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Glycyrrhizin</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>glycyrrhizic acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>(3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>glycyrrhizinicacid</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_15939"/> <oboinowl_gen:hasAlternativeId>CHEBI:24418</oboinowl_gen:hasAlternativeId> <oboinowl_gen:hasAlternativeId>CHEBI:5508</oboinowl_gen:hasAlternativeId> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/formula>C42H62O16</obo_purl:chebi/formula> <obo_purl:chebi/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:chebi/inchi> <obo_purl:chebi/inchikey>LPLVUJXQOOQHMX-QWBHMCJMSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/mass>822.93210</obo_purl:chebi/mass> <obo_purl:chebi/monoisotopicmass>822.40379</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/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</obo_purl:chebi/smiles> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_15939"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_15939"/> </rdf:Description> </rdf:RDF>