Ketcher 01101712132D 1 1.00000 0.00000 0 28 32 0 1 0 999 V2000 10.6181 -6.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0637 -1.6676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3643 -7.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4891 -3.2932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0196 -7.2546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7971 -4.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9909 -4.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7516 -4.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8679 -5.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 -4.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4520 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2022 -5.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0282 -6.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0835 -5.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4927 -3.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2110 -2.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7593 -6.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2558 -2.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1538 -6.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0070 -7.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1731 -4.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8103 -2.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6396 -7.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4728 -3.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7935 -2.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6075 -8.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4839 -6.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7148 -5.6785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 2 18 2 0 0 0 3 27 1 0 0 0 4 6 1 0 0 0 4 15 1 0 0 0 4 18 1 0 0 0 5 19 1 0 0 0 5 20 1 0 0 0 5 26 1 0 0 0 6 7 1 0 0 0 6 8 2 0 0 0 7 10 1 1 0 0 7 12 1 0 0 0 7 14 1 0 0 0 8 9 1 0 0 0 8 11 1 0 0 0 9 13 1 0 0 0 9 17 1 0 0 0 9 28 1 1 0 0 10 15 1 0 0 0 10 21 2 0 0 0 11 16 2 0 0 0 12 19 1 0 0 0 13 14 1 0 0 0 15 22 2 0 0 0 16 18 1 0 0 0 17 20 1 0 0 0 17 23 2 0 0 0 21 24 1 0 0 0 22 25 1 0 0 0 23 27 1 0 0 0 24 25 2 0 0 0 M END > CHEBI:132665 > stryvomitine > A monoterpenoid indole alkaloid with formula C22H22N2O3, isolated from the seeds of Strychnos nux-vomica. > 3 > (4S,5E,9aS)-5-(2-hydroxyethylidene)-7-methyl-4,5,6,7,8,9-hexahydro-1H-4,9a-ethano-7,13b-diazacyclonona[1,2,3-jk]fluorene-1,14-dione > C22H22N2O3 > 362.423 > 362.16304 > 0 > O=C1[C@]23C=4N(C=5C2=CC=CC5)C(=O)C=CC4[C@@](C1)(/C(/CN(CC3)C)=C\CO)[H] > InChI=1S/C22H22N2O3/c1-23-10-9-22-17-4-2-3-5-18(17)24-20(27)7-6-15(21(22)24)16(12-19(22)26)14(13-23)8-11-25/h2-8,16,25H,9-13H2,1H3/b14-8-/t16-,22+/m0/s1 > RJMLTFLKJJQGIP-ALNHGJLXSA-N > 22594453 $$$$