CDK 1030232200 40 47 0 0 0 0 0 0 0 0999 V2000 2.1434 0.8250 0.0000 O 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 2.8579 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6425 -0.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 -1.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1274 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7537 -0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0862 -1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3057 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0086 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8932 -1.4045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1127 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8156 0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3677 0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1746 0.4376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7621 1.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9816 0.6092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0884 -0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3142 1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9552 1.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3941 -0.1053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0678 1.4297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8421 -0.7184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0592 2.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7002 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2011 -0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0970 -1.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2522 2.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7531 0.3363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4560 -1.0615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5449 -2.1161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 -1.6745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2630 -1.2330 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 4 2 1 0 0 0 0 5 3 1 6 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 6 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 19 21 2 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 24 22 1 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 6 0 0 0 30 25 1 0 0 0 0 26 31 1 0 0 0 0 27 32 2 0 0 0 0 28 33 1 0 0 0 0 30 34 1 0 0 0 0 31 35 2 0 0 0 0 33 36 2 0 0 0 0 37 33 1 0 0 0 0 34 38 2 0 0 0 0 34 39 1 0 0 0 0 37 40 1 6 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 16 18 1 0 0 0 0 20 21 1 0 0 0 0 26 29 1 0 0 0 0 30 28 1 6 0 0 0 32 35 1 0 0 0 0 37 39 1 0 0 0 0 M END > CHEBI:205961 > Naseseazine A > 2 > (1S,4R,7R,9R)-9-[3-[[(3R,8aR)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indol-6-yl]-4-methyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione > C30H30N6O4 > 538.608 > 538.23285 > 0 > O=C1N2[C@@H](C(=O)N[C@@H]1CC=3C4=C(C=C([C@]56C7=C(C=CC=C7)N[C@H]5N8C(=O)[C@@H](C)NC([C@H]8C6)=O)C=C4)NC3)CCC2 > InChI=1S/C30H30N6O4/c1-15-27(39)36-24(26(38)32-15)13-30(19-5-2-3-6-20(19)34-29(30)36)17-8-9-18-16(14-31-21(18)12-17)11-22-28(40)35-10-4-7-23(35)25(37)33-22/h2-3,5-6,8-9,12,14-15,22-24,29,31,34H,4,7,10-11,13H2,1H3,(H,32,38)(H,33,37)/t15-,22-,23-,24-,29+,30-/m1/s1 > HHZBEUGFDCLKRI-AMVQDXOVSA-N $$$$