15051751 -OEChem-05241322392D 67 72 0 1 0 0 0 0 0999 V2000 5.2678 4.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4868 1.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 -0.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -1.2606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6012 0.7616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6073 -1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1567 4.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2253 1.3636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 0.4620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0045 3.2593 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8777 -1.8378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9346 -0.3439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2105 1.0502 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2969 1.4570 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7456 2.2934 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4015 2.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4503 1.2488 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2275 1.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8691 2.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5027 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2536 1.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5121 3.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9154 2.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5421 3.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7163 -1.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1684 4.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5870 0.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9300 -2.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9204 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0913 -3.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8210 -3.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2679 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5586 0.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1437 -4.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8733 -4.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0347 -4.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2537 -1.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5445 0.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8920 -0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 0.5584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6769 1.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2992 3.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 2.4326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 0.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7449 -0.3206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1068 0.3896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9252 0.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 0.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.6209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 -1.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2832 4.2074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5274 2.4044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9440 4.8337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3252 -1.5563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5388 -0.8212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5389 -3.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3410 -2.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8722 -1.9267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3432 0.8394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6237 -4.7174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4258 -4.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 -5.4528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4692 -2.1986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9402 0.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5032 -0.9515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 2 49 1 0 0 0 0 3 21 1 0 0 0 0 3 27 1 0 0 0 0 4 19 2 0 0 0 0 5 22 1 0 0 0 0 5 29 1 0 0 0 0 6 27 2 0 0 0 0 7 28 2 0 0 0 0 8 29 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 19 1 0 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 11 27 1 0 0 0 0 11 30 1 0 0 0 0 11 56 1 0 0 0 0 12 29 1 0 0 0 0 12 31 1 0 0 0 0 12 57 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 46 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 25 2 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 26 2 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 26 28 1 0 0 0 0 28 55 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 31 34 2 0 0 0 0 31 35 1 0 0 0 0 32 36 1 0 0 0 0 32 58 1 0 0 0 0 33 37 2 0 0 0 0 33 59 1 0 0 0 0 34 39 1 0 0 0 0 34 60 1 0 0 0 0 35 40 2 0 0 0 0 35 61 1 0 0 0 0 36 38 2 0 0 0 0 36 62 1 0 0 0 0 37 38 1 0 0 0 0 37 63 1 0 0 0 0 38 64 1 0 0 0 0 39 41 2 0 0 0 0 39 65 1 0 0 0 0 40 41 1 0 0 0 0 40 66 1 0 0 0 0 41 67 1 0 0 0 0 M END > 15051751 > 1 > 1020 > 9 > 3 > 8 > AAADceB7vAAAAAAAAAAAAAAAFgAAAAAAAAA8eMECBYAWAACxUAAAHgAUCAAADSzhmAYyzoPQBgCIAi1S2ACCCAAlIgAoiAEObMkOZjLE9Zuccyhn1hnY6Yf+2POOwAABQgAKAACAAAKEABQAAAAAAAAAAA== > InChI=1S/C29H26N4O8/c1-17(35)33-23-14-32-22-12-18(15-34)13-24(40-28(37)31-20-10-6-3-7-11-20)25(22)21(29(38,41-32)26(23)33)16-39-27(36)30-19-8-4-2-5-9-19/h2-13,15,21,23,26,38H,14,16H2,1H3,(H,30,36)(H,31,37) > JDCHMSZNBQUMDR-UHFFFAOYSA-N > 2.3 > 558.175064 > C29H26N4O8 > 558.53874 > CC(=O)N1C2C1C3(C(C4=C(C=C(C=C4OC(=O)NC5=CC=CC=C5)C=O)N(C2)O3)COC(=O)NC6=CC=CC=C6)O > CC(=O)N1C2C1C3(C(C4=C(C=C(C=C4OC(=O)NC5=CC=CC=C5)C=O)N(C2)O3)COC(=O)NC6=CC=CC=C6)O > 147 > 558.175064 > 0 > 41 > 0 > 4 > 0 > 0 > 0 > 1 > 12 > 1 5 255 > 14 16 3 17 21 3 18 20 8 18 22 8 15 2 3 20 24 8 22 25 8 24 26 8 25 26 8 30 32 8 30 33 8 31 34 8 31 35 8 32 36 8 33 37 8 34 39 8 35 40 8 36 38 8 37 38 8 39 41 8 40 41 8 13 9 3 $$$$