CDK 1030232201 26 29 0 0 0 0 0 0 0 0999 V2000 3.0686 -1.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8971 -0.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4491 0.2775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0366 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2741 0.2775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2296 0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4491 1.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6866 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6866 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1942 2.4911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2741 1.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2741 -1.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 -0.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8616 2.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4095 2.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 2.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9478 3.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2828 2.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7015 4.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3690 3.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 6 3 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 1 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 20 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 5 8 2 0 0 0 0 11 15 1 0 0 0 0 20 22 2 0 0 0 0 25 26 1 0 0 0 0 M END > CHEBI:210717 > 19-O-desmethylchaetogline A > 2 > (2E,5S)-2-(1-carboxyethylidene)-11-methyl-3-oxo-5,6-dihydroindolizino[8,7-b]indole-5-carboxylic acid > C19H16N2O5 > 352.346 > 352.10592 > 0 > O=C/1N2C(C=3N(C=4C=CC=CC4C3C[C@H]2C(=O)O)C)=C\C1=C(/C(=O)O)\C > InChI=1S/C19H16N2O5/c1-9(18(23)24)11-7-14-16-12(8-15(19(25)26)21(14)17(11)22)10-5-3-4-6-13(10)20(16)2/h3-7,15H,8H2,1-2H3,(H,23,24)(H,25,26)/b11-9+/t15-/m0/s1 > KLVGCFQPUWRQKN-GDXASINISA-N $$$$