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columbamine

Properties

Image

Occurences in reactions

MNX_ID

MNXM1818

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₀H₂₀NO₄

charge

mass

338.13868

reference

InChIKey

YYFOFDHQVIODOQ-UHFFFAOYSA-O

InChI

InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1

SMILES

COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15920 chebi:15920	columbamine 2-hydroxy-3,9,10-trimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium 5,6-dihydro-2-hydroxy-3,9,10-trimethoxydibenzo[a,g]quinolizinium Columbamine
sabiork.compound:5809 sabiorkM:5809 kegg.compound:C01795 keggC:C01795	Columbamine
seed.compound:cpd01238 seedM:cpd01238	Columbamine columbamine
metacyc.compound:COLUMBAMINE metacycM:COLUMBAMINE	columbamine
chebi:14014 chebi:23363 chebi:3827 keggC:M_C01795 seedM:M_cpd01238	secondary/obsolete/fantasy identifier