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(13S,14R)-13-O-acetyl-1,8-dihydroxy-N-methylcanadine

Properties

Image

Occurences in reactions

MNX_ID

MNXM114453

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

formula

C₂₃H₂₆NO₈

charge

mass

444.16529

reference

chebi:141642

InChIKey

ZMVJJIWEZXWPAJ-DIOGXUQJSA-O

InChI

InChI=1S/C23H25NO8/c1-11(25)32-20-13-5-6-14(28-3)21(29-4)17(13)23(27)24(2)8-7-12-9-15-22(31-10-30-15)19(26)16(12)18(20)24/h5-6,9,18,20,23,27H,7-8,10H2,1-4H3/p+1/t18-,20+,23?,24?/m1/s1

SMILES

COc1ccc2c(c1OC)C(O)[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:141642 chebi:141642	(13S,14R)-13-O-acetyl-1,8-dihydroxy-N-methylcanadine (13S,13aR)-13-acetoxy-8,14-dihydroxy-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)-1,8-dihydroxy-13-O-acetyl-N-methylcanadine
kegg.compound:C21589 keggC:C21589	(13S,14R)-1,8-Dihydroxy-13-O-acetyl-N-methylcanadine
metacyc.compound:CPD-14830 metacycM:CPD-14830 seed.compound:cpd34744 seedM:cpd34744	(13S,14R)-13-O-acetyl-1,8-dihydroxy-N-methylcanadine
keggC:M_C21589 seedM:M_cpd34744	secondary/obsolete/fantasy identifier