Ketcher 08291811082D 1 1.00000 0.00000 0 22 25 0 0 0 999 V2000 -1.5701 -0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7016 -0.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9400 1.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5288 2.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3561 1.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5338 2.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6259 -0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7624 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5749 0.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0207 1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0304 -0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1619 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1571 0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3611 1.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6211 0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9499 2.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8892 0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7527 1.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 2.0263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8939 -0.4570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4433 1.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 4 3 1 0 0 0 5 3 2 0 0 0 6 4 2 0 0 0 9 7 2 0 0 0 10 8 1 0 0 0 13 2 2 0 0 0 13 12 1 0 0 0 14 8 1 0 0 0 14 11 1 0 0 0 14 13 1 0 0 0 15 5 1 0 0 0 16 7 1 0 0 0 16 15 1 0 0 0 17 6 1 0 0 0 17 15 2 0 0 0 18 11 1 0 0 0 19 16 2 0 0 0 19 18 1 0 0 0 20 17 1 0 0 0 20 19 1 0 0 0 21 9 1 0 0 0 21 12 1 0 0 0 21 18 2 0 0 0 22 10 1 0 0 0 M CHG 1 21 1 M END > CHEBI:141868 > 3,4,5,6-tetradehydrogeissoschizol > 2 > C19H21N2O > 293.384 > 293.16484 > 1 > C/C=C\1/C[N+]=2C=CC=3C=4C=CC=CC4NC3C2CC1CCO > InChI=1S/C19H20N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h2-7,9,14,22H,8,10-12H2,1H3/p+1/b13-2- > ICJZOHPEKMAUGQ-SILLCRNTSA-O $$$$