nicomorphine CDK 0223171739 null 40 46 0 0 0 0 0 0 0 0999 V2000 2.3645 -4.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -3.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -3.9858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0789 -3.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -4.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -3.9858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0635 -3.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -5.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5099 -3.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4135 -3.2796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0266 -4.5550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5099 -5.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 -4.3994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4115 -3.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.5713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0020 -2.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -3.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 -5.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -2.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4135 -1.8650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0020 -1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -3.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4115 -1.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -2.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -1.1485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3645 -4.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0615 -3.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5374 -0.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0789 -3.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0789 -3.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7934 -4.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7934 -5.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5099 -3.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5099 -5.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2223 -4.3994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2223 -5.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.8588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -4.8109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2488 -1.3818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 1 1 6 0 0 0 6 3 1 0 0 0 0 3 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 10 6 1 0 0 0 0 6 11 1 0 0 0 0 6 39 1 1 0 0 0 7 12 2 0 0 0 0 8 13 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 6 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 16 12 1 0 0 0 0 13 19 1 0 0 0 0 14 19 2 0 0 0 0 15 18 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 38 1 1 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 20 24 1 0 0 0 0 20 25 2 0 0 0 0 21 24 1 0 0 0 0 21 26 1 0 0 0 0 21 40 1 6 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 23 28 2 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 33 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 37 2 0 0 0 0 M END > CHEBI:135797 > nicomorphine > 2 > morphine dinicotinate > C29H25N3O5 > 495.527 > 495.17942 > 0 > O(C(=O)C=1C=CC=NC1)[C@@H]2[C@]3([C@]45C6=C(O3)C(OC(=O)C=7C=CC=NC7)=CC=C6C[C@]([C@@]4(C=C2)[H])(N(CC5)C)[H])[H] > InChI=1S/C29H25N3O5/c1-32-13-10-29-20-7-9-23(36-28(34)19-5-3-12-31-16-19)26(29)37-25-22(8-6-17(24(25)29)14-21(20)32)35-27(33)18-4-2-11-30-15-18/h2-9,11-12,15-16,20-21,23,26H,10,13-14H2,1H3/t20-,21+,23-,26-,29-/m0/s1 > HNDXBGYRMHRUFN-CIVUWBIHSA-N > 639-48-5 $$$$