CDK 0521202330 37 41 0 0 0 0 0 0 0 0999 V2000 3.1282 -2.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9848 -0.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8819 -0.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1282 -4.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9123 -1.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4138 -1.1359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5572 -1.5484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3108 -1.2129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8629 -1.8260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2703 -1.5484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6993 -1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1282 -1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6434 -2.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6993 -2.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4504 -2.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9848 -1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8427 -1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4138 -0.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4138 -2.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1282 0.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0914 -2.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9848 -2.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7053 -3.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4138 -3.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3463 -3.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9848 -3.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1533 -3.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6993 -4.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 0.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4441 -1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1586 -1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4339 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0214 1.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 -2.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4643 -1.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0518 -2.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1282 -4.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 16 2 0 0 0 0 3 20 1 0 0 0 0 3 32 1 0 0 0 0 4 24 1 0 0 0 0 4 37 1 0 0 0 0 5 31 1 0 0 0 0 5 35 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 9 2 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 30 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 21 2 0 0 0 0 14 19 2 0 0 0 0 14 22 1 0 0 0 0 15 23 2 0 0 0 0 18 20 1 0 0 0 0 19 24 1 0 0 0 0 20 29 2 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 23 27 1 0 0 0 0 24 28 2 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 31 34 2 0 0 0 0 32 33 2 0 0 0 0 34 36 1 0 0 0 0 35 36 2 0 0 0 0 M END > CHEBI:149798 > CID 3206295 > 2 > C27H25N5O5 > 499.527 > 499.18557 > 0 > O=C(N(C(C1=CC(OC)=CC=C1)C(=O)NCC=2OC=CC2)CC=3OC=CC3)CN4N=NC=5C4=CC=CC5 > InChI=1S/C27H25N5O5/c1-35-20-8-4-7-19(15-20)26(27(34)28-16-21-9-5-13-36-21)31(17-22-10-6-14-37-22)25(33)18-32-24-12-3-2-11-23(24)29-30-32/h2-15,26H,16-18H2,1H3,(H,28,34) > GROOCDCQBXOOCH-UHFFFAOYSA-N $$$$