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loading...| Preferred Name | brucine | |
| Synonyms |
Brucine |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3193 |
|
| charge |
0 |
|
| database_cross_reference |
LINCS:LSM-5758 KEGG:C09084 PPDB:3151 CAS:357-57-3 KNApSAcK:C00001695 |
|
| formula |
C23H26N2O4 |
|
| has_exact_synonym |
Brucine |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:3193 |
|
| in_subset | ||
| 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 |
|
| inchikey |
RRKTZKIUPZVBMF-IBTVXLQLSA-N |
|
| label |
brucine |
|
| mass |
394.464 |
|
| notation |
CHEBI:3193 |
|
| prefLabel |
brucine |
|
| smiles |
COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2cc1OC |
|
| treeView | ||
| subClassOf |
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