@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 ns0: <http://purl.obolibrary.org/obo/chebi/> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix metadata: <http://data.bioontology.org/metadata/> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi#> .
obo_purl:CHEBI_68412
metadata_def:mappingLoom "plakortolideo" ;
metadata_def:mappingSameURI obo_purl:CHEBI_68412 ;
metadata_def:prefLabel "plakortolide O" ;
metadata:treeView obo_purl:CHEBI_27171, obo_purl:CHEBI_37581 ;
obo_purl:IAO_0000115 "An organic heterobicyclic compound that is a cyclic peroxy compound isolated from the Australian marine sponge Plakinastrella clathrata." ;
obo_purl:RO_0000087 obo_purl:CHEBI_25212 ;
ns0:charge "0" ;
ns0:formula "C26H36O4" ;
ns0:inchi "InChI=1S/C26H36O4/c1-25(21-26(2)23(29-30-25)20-24(27)28-26)19-15-10-8-6-4-3-5-7-9-12-16-22-17-13-11-14-18-22/h7,9,11-14,16-18,23H,3-6,8,10,15,19-21H2,1-2H3/b9-7+,16-12+/t23-,25+,26-/m1/s1" ;
ns0:inchikey "KEKDEOVVWKTZKA-XRXSLGMHSA-N" ;
ns0:mass "412.56160" ;
ns0:monoisotopicmass "412.26136" ;
ns0:smiles "[H][C@@]12CC(=O)O[C@]1(C)C[C@](C)(CCCCCCCC\\C=C\\C=C\\c1ccccc1)OO2" ;
oboinowl_gen:hasDbXref "PMID:21261297", "Reaxys:21309199" ;
oboinowl_gen:hasExactSynonym "(3S,4aR,7aR)-3,4a-dimethyl-3-[(9E,11E)-12-phenyldodeca-9,11-dien-1-yl]tetrahydrofuro[3,2-c][1,2]dioxin-6(3H)-one" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:id "CHEBI:68412" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi#3_STAR> ;
a owl:Class ;
rdfs:label "plakortolide O" ;
rdfs:subClassOf obo_purl:CHEBI_27171, obo_purl:CHEBI_37581 ;
skos:notation "CHEBI:68412" .
@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 ns0: <http://purl.obolibrary.org/obo/chebi/> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix metadata: <http://data.bioontology.org/metadata/> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi#> .
obo_purl:CHEBI_68412
metadata_def:mappingLoom "plakortolideo" ;
metadata_def:mappingSameURI obo_purl:CHEBI_68412 ;
metadata_def:prefLabel "plakortolide O" ;
metadata:treeView obo_purl:CHEBI_27171, obo_purl:CHEBI_37581 ;
obo_purl:IAO_0000115 "An organic heterobicyclic compound that is a cyclic peroxy compound isolated from the Australian marine sponge Plakinastrella clathrata." ;
obo_purl:RO_0000087 obo_purl:CHEBI_25212 ;
ns0:charge "0" ;
ns0:formula "C26H36O4" ;
ns0:inchi "InChI=1S/C26H36O4/c1-25(21-26(2)23(29-30-25)20-24(27)28-26)19-15-10-8-6-4-3-5-7-9-12-16-22-17-13-11-14-18-22/h7,9,11-14,16-18,23H,3-6,8,10,15,19-21H2,1-2H3/b9-7+,16-12+/t23-,25+,26-/m1/s1" ;
ns0:inchikey "KEKDEOVVWKTZKA-XRXSLGMHSA-N" ;
ns0:mass "412.56160" ;
ns0:monoisotopicmass "412.26136" ;
ns0:smiles "[H][C@@]12CC(=O)O[C@]1(C)C[C@](C)(CCCCCCCC\\C=C\\C=C\\c1ccccc1)OO2" ;
oboinowl_gen:hasDbXref "PMID:21261297", "Reaxys:21309199" ;
oboinowl_gen:hasExactSynonym "(3S,4aR,7aR)-3,4a-dimethyl-3-[(9E,11E)-12-phenyldodeca-9,11-dien-1-yl]tetrahydrofuro[3,2-c][1,2]dioxin-6(3H)-one" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:id "CHEBI:68412" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi#3_STAR> ;
a owl:Class ;
rdfs:label "plakortolide O" ;
rdfs:subClassOf obo_purl:CHEBI_27171, obo_purl:CHEBI_37581 ;
skos:notation "CHEBI:68412" .