Ketcher 01091716242D 1 1.00000 0.00000 0 30 35 0 1 0 999 V2000 12.7208 -1.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4588 -8.4461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3914 -5.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9810 -3.1746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3309 -4.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3309 -5.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1864 -4.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3914 -4.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1864 -6.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0419 -5.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0419 -4.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8108 -5.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5969 -3.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1766 -6.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4278 -6.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9986 -3.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8533 -4.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8145 -2.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6145 -4.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7408 -3.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4179 -2.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9355 -7.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0339 -3.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4355 -2.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9511 -7.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9920 -5.1240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8847 -3.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8757 -5.8458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7606 -4.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9261 -5.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 2 25 1 0 0 0 3 6 1 0 0 0 3 12 1 0 0 0 3 14 1 0 0 0 4 7 1 0 0 0 4 16 1 0 0 0 4 18 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 5 13 1 1 0 0 6 9 1 0 0 0 6 26 1 1 0 0 7 11 1 0 0 0 7 27 1 6 0 0 8 12 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 10 15 1 0 0 0 10 28 1 1 0 0 11 17 1 0 0 0 13 16 1 0 0 0 13 19 2 0 0 0 14 15 1 0 0 0 15 22 2 0 0 0 16 21 2 0 0 0 17 20 1 0 0 0 18 20 1 0 0 0 19 23 1 0 0 0 21 24 1 0 0 0 22 25 1 0 0 0 23 24 2 0 0 0 17 29 1 1 0 0 11 30 1 1 0 0 M END > CHEBI:132663 > protostrychnine > A monoterpenoid indole alkaloid with formula C21H24N2O3, isolated from Strychnos icaja and Strychnos nux-vomica. > 3 > (3aR,11R,11aR,11bS,12R,13aS,14E)-11-hydroxy-14-(2-hydroxyethylidene)-2,3,10,11,11a,12,13,13a-octahydro-9H,11bH-1,12-ethanopyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-9-one > C21H24N2O3 > 352.428 > 352.17869 > 0 > O=C1N2[C@@]3([C@@]4([C@]5(N(CC4)C\C(\[C@](C5)([C@]3([C@@H](C1)O)[H])[H])=C\CO)[H])C=6C2=CC=CC6)[H] > InChI=1S/C21H24N2O3/c24-8-5-12-11-22-7-6-21-14-3-1-2-4-15(14)23-18(26)10-16(25)19(20(21)23)13(12)9-17(21)22/h1-5,13,16-17,19-20,24-25H,6-11H2/b12-5-/t13-,16+,17-,19-,20-,21+/m0/s1 > UBCAPJGELHAUQV-WNUJMAAFSA-N > 71610-48-5 > 6536743 > C00037693 > 12560037; 16375888; 22707864 $$$$