Ketcher 01111710582D 1 1.00000 0.00000 0 32 37 0 1 0 999 V2000 6.6274 -4.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6274 -5.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7262 -4.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4682 -3.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0899 -2.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4732 -5.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7850 -5.8888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2015 -4.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2284 -3.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3157 -4.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4682 -3.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3897 -2.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3157 -5.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4732 -6.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7850 -6.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1807 -4.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1756 -3.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8522 -3.9382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2288 -5.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6274 -7.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1577 -7.4459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9946 -7.3501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6796 -4.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5652 -4.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5652 -3.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5652 -6.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1448 -7.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6274 -6.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4682 -4.9621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3259 -6.3293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4682 -7.7368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6809 -2.3171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 6 0 0 1 4 1 0 0 0 1 5 1 0 0 0 2 6 1 0 0 0 2 7 1 0 0 0 2 28 1 1 0 0 3 8 2 0 0 0 3 9 1 0 0 0 4 10 1 0 0 0 4 11 2 0 0 0 5 12 1 0 0 0 6 13 1 0 0 0 6 14 1 0 0 0 6 29 1 6 0 0 7 8 1 0 0 0 7 15 1 0 0 0 8 16 1 0 0 0 9 17 2 0 0 0 10 13 1 0 0 0 18 12 1 0 0 0 13 19 1 0 0 0 13 30 1 6 0 0 14 20 1 0 0 0 14 21 1 0 0 0 14 31 1 6 0 0 15 20 1 0 0 0 15 22 2 0 0 0 16 23 2 0 0 0 17 23 1 0 0 0 18 24 1 0 0 0 18 25 1 0 0 0 19 24 1 0 0 0 19 26 2 0 0 0 21 27 1 0 0 0 26 27 1 0 0 0 17 32 1 0 0 0 M END > CHEBI:132699 > 10-hydroxyicajine > A monoterpenoid indole alkaloid with formula C22H24N2O4, originallly isolated from the seeds of Strychnos nux-vomica. > 3 > 10-hydroxy-19-methyl-16,19-seco-strychnidine-10,16-dione > (4aR,6aS,12aS,12bR,12cS)-8-hydroxy-15-methyl-4a,5,12,12a,12b,12c-hexahydro-11H-6a,4-(ethanoiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthene-6,11(2H)-dione > C22H24N2O4 > 380.438 > 380.17361 > 0 > [C@@]123[C@@]4([C@]5([C@@](CC1=O)(C(CN(CC2)C)=CCO[C@]5(CC(N4C6=C3C=C(C=C6)O)=O)[H])[H])[H])[H] > InChI=1S/C22H24N2O4/c1-23-6-5-22-15-8-13(25)2-3-16(15)24-19(27)10-17-20(21(22)24)14(9-18(22)26)12(11-23)4-7-28-17/h2-4,8,14,17,20-21,25H,5-7,9-11H2,1H3/t14-,17-,20-,21-,22+/m0/s1 > JQLLSZXDWJGHSJ-ZXXLSYNSSA-N > 22594456 $$$$