{"@context":{"obo_purl":"http://purl.obolibrary.org/obo/","rdf":"http://www.w3.org/1999/02/22-rdf-syntax-ns#","owl":"http://www.w3.org/2002/07/owl#","rdfs":"http://www.w3.org/2000/01/rdf-schema#","skos":"http://www.w3.org/2004/02/skos/core#","oboinowl_gen":"http://www.geneontology.org/formats/oboInOwl#","ns0":"http://purl.obolibrary.org/obo/chebi#","metadata_def":"http://data.bioontology.org/metadata/def/","ns1":"http://purl.obolibrary.org/obo/chebi/"},"@id":"obo_purl:CHEBI_9647","@type":"owl:Class","rdfs:subClassOf":{"@id":"obo_purl:CHEBI_26004"},"rdfs:label":"Trachelogenin","skos:notation":"CHEBI:9647","oboinowl_gen:hasExactSynonym":"Trachelogenin","oboinowl_gen:hasDbXref":["CAS:34209-69-3","KEGG:C10891","KNApSAcK:C00000600"],"oboinowl_gen:hasOBONamespace":"chebi_ontology","oboinowl_gen:id":"CHEBI:9647","oboinowl_gen:inSubset":{"@id":"ns0:2_STAR"},"metadata_def:prefLabel":"Trachelogenin","oboinowl_gen:hasRelatedSynonym":"(-)-Trachelogenin","metadata_def:mappingLoom":"trachelogenin","metadata_def:mappingSameURI":{"@id":"obo_purl:CHEBI_9647"},"ns1:charge":"0","ns1:formula":"C21H24O7","ns1:inchi":"InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1","ns1:inchikey":"YFVZKLQNMNKWSB-BTYIYWSLSA-N","ns1:mass":"388.412","ns1:monoisotopicmass":"388.15220","ns1:smiles":"COc1cc(C[C@]2(O)[C@@H](Cc3ccc(OC)c(OC)c3)COC2=O)ccc1O"}