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Chemical Entities of Biological Interest Ontology
Last uploaded:
November 5, 2024
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| Preferred Name | Mesembrine | |
| Synonyms |
Mesembrine |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_6778 |
|
| charge |
0
|
|
| database_cross_reference |
KEGG:C09224 CAS:24880-43-1 KNApSAcK:C00001749
|
|
| formula |
C17H23NO3
|
|
| has_exact_synonym |
Mesembrine
|
|
| has_obo_namespace |
chebi_ontology
|
|
| id |
CHEBI:6778
|
|
| in_subset | ||
| inchi |
InChI=1S/C17H23NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,16H,6-9,11H2,1-3H3/t16-,17-/m0/s1
|
|
| inchikey |
DAHIQPJTGIHDGO-IRXDYDNUSA-N
|
|
| label |
Mesembrine
|
|
| mass |
289.370
|
|
| monoisotopicmass |
289.16779
|
|
| notation |
CHEBI:6778
|
|
| prefLabel |
Mesembrine
|
|
| smiles |
COc1ccc(cc1OC)[C@]12CCN(C)[C@H]1CC(=O)CC2
|
|
| treeView | ||
| subClassOf |
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| Mapping To | Ontology | Source |
|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_6778 | BERO | SAME_URI |
| http://phenomebrowser.net/ontologies/mesh/mesh.owl#C011300 | RH-MESH | LOOM |
| http://purl.obolibrary.org/obo/CHEBI_6778 | BERO | LOOM |
| http://purl.bioontology.org/ontology/MESH/C011300 | MESH | LOOM |