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(13S,14R)-13-O-acetyl-1-hydroxy-N-methylcanadine

Properties

Image

Occurences in reactions

MNX_ID

MNXM103481

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₂₃H₂₆NO₇

charge

mass

428.17038

reference

chebi:141640

InChIKey

UNFCTLFLKCGAOK-LOMQJKJHSA-O

InChI

InChI=1S/C23H25NO7/c1-12(25)31-22-14-5-6-16(27-3)21(28-4)15(14)10-24(2)8-7-13-9-17-23(30-11-29-17)20(26)18(13)19(22)24/h5-6,9,19,22H,7-8,10-11H2,1-4H3/p+1/t19-,22+,24?/m1/s1

SMILES

COc1ccc2c(c1OC)C[N+]1(C)CCc3cc4c(c(O)c3[C@@H]1[C@H]2OC(C)=O)OCO4

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:141640 chebi:141640	(13S,14R)-13-O-acetyl-1-hydroxy-N-methylcanadine (13S,13aR)-13-acetoxy-14-hydroxy-9,10-dimethoxy-7-methyl-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium (13S,14R)-1-hydroxy-13-O-acetyl-N-methylcanadine
kegg.compound:C21588 keggC:C21588	(13S,14R)-1-Hydroxy-13-O-acetyl-N-methylcanadine
metacyc.compound:CPD-14829 metacycM:CPD-14829 seed.compound:cpd31940 seedM:cpd31940	(13S,14R)-13-O-acetyl-1-hydroxy-N-methylcanadine
keggC:M_C21588 seedM:M_cpd31940	secondary/obsolete/fantasy identifier