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columbamine

Properties Image MNX_ID MNXM1818 reference chebi:15920 formula C20H20NO4 global charge 1 mol weight 338.383 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 MNX internals InChI (mnx) InChI=1/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 SMILES (mnx) [c:1]12[c:3]([cH:7][c:13]3[c:9]([cH:4]1)[cH:14][cH:18][c:20]([O:23][OH:25])[c:17]3[NH2+:21][OH:24])[CH2:8][CH2:11][c:5]1[c:2]-2[cH:6][c:12]([CH3:16])[c:15]([CH2:19][OH:22])[cH:10]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:15920 chebi:15920 YYFOFDHQVIODOQ-UHFFFAOYSA-O	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 vmhM:cbmn vmhM:cbmn vmhmetabolite:cbmn vmhmetabolite:cbmn YYFOFDHQVIODOQ-UHFFFAOYSA-O	Columbamine
seed.compound:cpd01238 seedM:cpd01238 YYFOFDHQVIODOQ-UHFFFAOYSA-O	Columbamine columbamine
metacyc.compound:COLUMBAMINE metacycM:COLUMBAMINE YYFOFDHQVIODOQ-UHFFFAOYSA-O	columbamine
chebi:14014 chebi:23363 chebi:3827 keggC:M_C01795 seedM:M_cpd01238 vmhM:M_cbmn	secondary/obsolete/fantasy identifier