@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: <https://w3id.org/chemrof/> .
@prefix ns1: <http://purl.obolibrary.org/obo#> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix ns2: <http://purl.obolibrary.org/obo/chebi/> .
obo_purl:CHEBI_185922
metadata_def:mappingLoom "isoferulicacid3oglucuronide" ;
metadata_def:mappingSameURI obo_purl:CHEBI_185922 ;
metadata_def:prefLabel "Isoferulic acid 3-O-glucuronide" ;
ns1:has_role obo_purl:CHEBI_25435 ;
oboinowl_gen:hasDbXref "MESH:C001943", "chemspider:30777633", "hmdb:HMDB0041747" ;
oboinowl_gen:hasExactSynonym "(2S,3S,4S,5R,6S)-6-[5-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "(2S,3S,4S,5R,6S)-6-[5-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid" ;
oboinowl_gen:id "CHEBI:185922" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi/2_STAR> ;
a owl:Class ;
rdfs:label "Isoferulic acid 3-O-glucuronide" ;
rdfs:subClassOf obo_purl:CHEBI_24431 ;
skos:notation "CHEBI:185922" ;
ns0:charge 0 ;
ns0:generalized_empirical_formula "C16H18O10" ;
ns0:inchi_key_string "SHJZLGVIOYFHCB-MBAOVNHDSA-N" ;
ns0:inchi_string "InChI=1S/C16H18O10/c1-24-8-4-2-7(3-5-10(17)18)6-9(8)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1" ;
ns0:mass 370.31 ;
ns0:monoisotopic_mass 370.09 ;
ns0:smiles_string "COc1ccc(/C=C/C(=O)O)cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O" .
@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: <https://w3id.org/chemrof/> .
@prefix ns1: <http://purl.obolibrary.org/obo#> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix ns2: <http://purl.obolibrary.org/obo/chebi/> .
obo_purl:CHEBI_185922
metadata_def:mappingLoom "isoferulicacid3oglucuronide" ;
metadata_def:mappingSameURI obo_purl:CHEBI_185922 ;
metadata_def:prefLabel "Isoferulic acid 3-O-glucuronide" ;
ns1:has_role obo_purl:CHEBI_25435 ;
oboinowl_gen:hasDbXref "MESH:C001943", "chemspider:30777633", "hmdb:HMDB0041747" ;
oboinowl_gen:hasExactSynonym "(2S,3S,4S,5R,6S)-6-[5-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "(2S,3S,4S,5R,6S)-6-[5-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid" ;
oboinowl_gen:id "CHEBI:185922" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi/2_STAR> ;
a owl:Class ;
rdfs:label "Isoferulic acid 3-O-glucuronide" ;
rdfs:subClassOf obo_purl:CHEBI_24431 ;
skos:notation "CHEBI:185922" ;
ns0:charge 0 ;
ns0:generalized_empirical_formula "C16H18O10" ;
ns0:inchi_key_string "SHJZLGVIOYFHCB-MBAOVNHDSA-N" ;
ns0:inchi_string "InChI=1S/C16H18O10/c1-24-8-4-2-7(3-5-10(17)18)6-9(8)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1" ;
ns0:mass 370.31 ;
ns0:monoisotopic_mass 370.09 ;
ns0:smiles_string "COc1ccc(/C=C/C(=O)O)cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O" .