CDK 0306170844 52 56 0 0 0 0 0 0 0 0999 V2000 12.8722 -8.3013 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 16.6891 -15.2200 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 14.5833 -9.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9140 -9.7518 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5833 -8.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2944 -9.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2030 -9.3334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9140 -10.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2944 -8.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8722 -8.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0054 -9.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2030 -8.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5337 -8.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2030 -11.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0054 -8.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6747 -9.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5337 -10.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2030 -11.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6747 -8.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8226 -11.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5755 -12.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3440 -8.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8226 -11.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1115 -12.3870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5337 -9.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2944 -10.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1309 -13.8510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4199 -13.4327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1309 -14.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7088 -13.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7165 -12.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4199 -15.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7088 -14.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9977 -13.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9636 -12.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9977 -15.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2866 -13.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7165 -12.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9636 -11.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2866 -14.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5755 -13.4327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4276 -12.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6747 -10.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5755 -15.1058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4276 -11.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8226 -14.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8420 -13.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7088 -13.0144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4997 -10.3374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4115 -9.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8566 -14.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3830 -11.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 24 1 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 21 23 1 0 0 0 0 25 7 1 0 0 0 0 6 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 2 0 0 0 0 11 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 30 33 2 0 0 0 0 30 34 1 0 0 0 0 33 36 1 0 0 0 0 34 37 2 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 36 40 2 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 39 43 2 0 0 0 0 40 44 1 0 0 0 0 42 45 2 0 0 0 0 44 46 1 0 0 0 0 32 33 1 0 0 0 0 37 40 1 0 0 0 0 43 45 1 0 0 0 0 27 47 1 0 0 0 0 26 43 1 0 0 0 0 21 41 1 0 0 0 0 38 31 1 0 0 0 0 28 48 1 1 0 0 0 4 49 1 6 0 0 0 16 50 1 0 0 0 0 27 51 1 0 0 0 0 24 52 1 0 0 0 0 M CHG 1 1 -1 M CHG 1 2 -1 M CHG 1 7 1 M CHG 1 27 1 M END > CHEBI:6901 > Metocurine iodide > 2 > Metubine iodide; Metocurine iodide > C40H48I2N2O6; C40H48N2O6.2I > 906.629 > 906.16018 > 0 > [I-].[I-].C=12[C@@]3([N+](C)(CCC1C=C(C(=C2OC4=CC=C(C=C4)C[C@@]5([N+](CCC6=C5C=C(OC=7C(OC)=CC=C(C3)C7)C(=C6)OC)(C)C)[H])OC)OC)C)[H] > InChI=1S/C40H48N2O6.2HI/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36;;/h9-14,21-24,31-32H,15-20H2,1-8H3;2*1H/q+2;;/p-2/t31-,32+;;/m0../s1 > DIGFQJFCDPKEPF-OIUSMDOTSA-L > 7601-55-0 > D00761 $$$$