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Ontologies
ECTO
Environmental Conditions, Treatments and Exposures Ontology
(ECTO)
OWL
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Last submission date April 10, 2024
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<div><div class='d-flex align-items-center'> <span class="flag-icon flag-icon-gb"></span> <div class='ml-1'> English </div> </div> </div>
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ID
http://purl.obolibrary.org/obo/CHEBI_3193
http://purl.obolibrary.org/obo/CHEBI_3193
https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_3193
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Preferred name
brucine
Synonyms
Brucine
Raw data
rdf:type
http://www.w3.org/2002/07/owl#Class
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rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_52157
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http://purl.obolibrary.org/obo/CHEBI_65323
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rdfs:label
brucine
skos:notation
CHEBI:3193
oboinowl_gen:hasExactSynonym
Brucine
oboinowl_gen:hasDbXref
CAS:357-57-3
KEGG:C09084
KNApSAcK:C00001695
LINCS:LSM-5758
PPDB:3151
oboinowl_gen:hasOBONamespace
chebi_ontology
oboinowl_gen:id
CHEBI:3193
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#2_STAR
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obo_purl:charge
0
obo_purl:formula
C23H26N2O4
obo_purl:inchi
InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1
obo_purl:inchikey
RRKTZKIUPZVBMF-IBTVXLQLSA-N
obo_purl:mass
394.464
obo_purl:smiles
COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2cc1OC
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