@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix obo_purl: <http://purl.obolibrary.org/obo/> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix ns0: <http://purl.obolibrary.org/obo/chebi#> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi/> .
obo_purl:CHEBI_31018
metadata_def:mappingLoom "gallocatechin" ;
metadata_def:mappingSameURI obo_purl:CHEBI_31018 ;
metadata_def:prefLabel "(+)-gallocatechin" ;
obo_purl:IAO_0000115 "A gallocatechin that has (2R,3S)-configuration. It is found in green tea and bananas." ;
ns1:charge "0" ;
ns1:formula "C15H14O7" ;
ns1:inchi "InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1" ;
ns1:inchikey "XMOCLSLCDHWDHP-SWLSCSKDSA-N" ;
ns1:mass "306.26750" ;
ns1:monoisotopicmass "306.07395" ;
ns1:smiles "O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1" ;
oboinowl_gen:hasDbXref "CAS:970-73-0", "Chemspider:58594", "KEGG:C12127", "KNApSAcK:C00008817", "PMID:22430120", "PMID:9741297", "Reaxys:94058" ;
oboinowl_gen:hasExactSynonym "(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "(+)-gallocatechol", "(2R,3S)-(+)-gallocatechin", "(2R,3S)-flavan-3,3',4',5,5',7-hexol", "(2R,3S)-flavan-3,5,7,3',4',5'-hexol", "(2R,3S)-gallocatechin", "gallocatechin" ;
oboinowl_gen:id "CHEBI:31018" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi#3_STAR> ;
a owl:Class ;
rdfs:label "(+)-gallocatechin", "(+)-gallocatechin"^^xml:string ;
rdfs:subClassOf obo_purl:CHEBI_23053 ;
skos:notation "CHEBI:31018" .
@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix obo_purl: <http://purl.obolibrary.org/obo/> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix ns0: <http://purl.obolibrary.org/obo/chebi#> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi/> .
obo_purl:CHEBI_31018
metadata_def:mappingLoom "gallocatechin" ;
metadata_def:mappingSameURI obo_purl:CHEBI_31018 ;
metadata_def:prefLabel "(+)-gallocatechin" ;
obo_purl:IAO_0000115 "A gallocatechin that has (2R,3S)-configuration. It is found in green tea and bananas." ;
ns1:charge "0" ;
ns1:formula "C15H14O7" ;
ns1:inchi "InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1" ;
ns1:inchikey "XMOCLSLCDHWDHP-SWLSCSKDSA-N" ;
ns1:mass "306.26750" ;
ns1:monoisotopicmass "306.07395" ;
ns1:smiles "O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1" ;
oboinowl_gen:hasDbXref "CAS:970-73-0", "Chemspider:58594", "KEGG:C12127", "KNApSAcK:C00008817", "PMID:22430120", "PMID:9741297", "Reaxys:94058" ;
oboinowl_gen:hasExactSynonym "(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "(+)-gallocatechol", "(2R,3S)-(+)-gallocatechin", "(2R,3S)-flavan-3,3',4',5,5',7-hexol", "(2R,3S)-flavan-3,5,7,3',4',5'-hexol", "(2R,3S)-gallocatechin", "gallocatechin" ;
oboinowl_gen:id "CHEBI:31018" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi#3_STAR> ;
a owl:Class ;
rdfs:label "(+)-gallocatechin", "(+)-gallocatechin"^^xml:string ;
rdfs:subClassOf obo_purl:CHEBI_23053 ;
skos:notation "CHEBI:31018" .