Ketcher 10101811492D 1 1.00000 0.00000 0 33 37 0 1 0 999 V2000 -1.9661 2.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9661 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1001 1.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1001 0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2341 2.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 1.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2341 -0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4979 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 -1.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4979 -0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 -2.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4979 -2.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8321 0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8321 1.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3709 1.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2341 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1001 -0.2308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7831 2.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7831 0.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 -1.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 -2.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2301 -2.7308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0961 -2.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2301 -0.7308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0961 -1.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 0.7692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4981 1.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0184 -0.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1001 -1.2308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1001 -2.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9661 -2.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2341 -2.7308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 0.7692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 1 14 1 0 0 0 13 2 1 0 0 0 2 4 2 0 0 0 5 3 1 0 0 0 3 4 1 0 0 0 16 4 1 0 0 0 5 6 1 0 0 0 26 8 1 0 0 0 26 16 1 0 0 0 16 7 1 0 0 0 7 9 1 0 0 0 10 8 1 0 0 0 9 11 1 0 0 0 10 9 2 0 0 0 20 10 1 0 0 0 20 21 2 0 0 0 11 12 2 0 0 0 12 21 1 0 0 0 19 13 1 0 0 0 14 13 2 0 0 0 18 14 1 0 0 0 18 15 1 0 0 0 15 19 1 0 0 0 16 17 1 6 0 0 20 24 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 24 25 1 0 0 0 26 27 1 0 0 0 2 28 1 0 0 0 7 29 1 6 0 0 29 30 1 0 0 0 30 31 1 0 0 0 30 32 2 0 0 0 6 26 1 0 0 0 8 33 1 0 0 0 M CHG 1 26 1 M END > CHEBI:141642 > (13S,14R)-1,8-dihydroxy-13-O-acetyl-N-methylcanadine > A quaternary ammonium ion that is (13S,14R)-1-hydroxy-13-O-acetyl-N-methylcanadine which carries a hydroxy group at position 8. > 3 > (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 > C23H26NO8 > 444.455 > 444.16529 > 1 > C1=C2CC[N+]3(C(C4=C([C@@H]([C@]3(C2=C(C=5OCOC15)O)[H])OC(C)=O)C=CC(=C4OC)OC)O)C > 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 > ZMVJJIWEZXWPAJ-DIOGXUQJSA-O > C21589 > C00051965 > CPD-14830 > 25485687; 25583437 $$$$