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brucine

Properties

Image

Occurences in reactions

MNX_ID

MNXM103306

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₃H₂₆N₂O₄

charge

mass

394.18926

reference

chebi:3193

InChIKey

RRKTZKIUPZVBMF-IBTVXLQLSA-N

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

SMILES

COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-3296397 reactomeM:R-ALL-3296397 CHEBI:3193 chebi:3193	brucine Brucine
CHEBI:91694 chebi:91694	(4aR,5aS,8aR,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one
seed.compound:cpd05980 seedM:cpd05980 kegg.compound:C09084 keggC:C09084	Brucine
metacyc.compound:CPD-24093 metacycM:CPD-24093	brucine
keggC:M_C09084 seedM:M_cpd05980	secondary/obsolete/fantasy identifier