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Preferred Name

brucine
Synonyms

Brucine
ID

http://purl.obolibrary.org/obo/CHEBI_3193
charge

0
formula

C23H26N2O4
has exact synonym

Brucine
hasOBONamespace

chebi_ontology
id

CHEBI:3193
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
inSubset

http://purl.obolibrary.org/obo/chebi#2_STAR
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
xRef

LINCS:LSM-5758

KNApSAcK:C00001695

KEGG:C09084

CAS:357-57-3

PPDB:3151
subClassOf

http://purl.obolibrary.org/obo/CHEBI_52157

http://purl.obolibrary.org/obo/CHEBI_65323
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