HMDB0247484 RDKit 3D [3-Hexadecanoyloxy-2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]... 115116 0 0 0 0 0 0 0 0999 V2000 11.6893 -4.1913 0.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4121 -2.7004 0.8741 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9464 -2.2857 -0.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6808 -0.8269 -0.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7248 -0.2483 0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2933 -0.6417 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9171 -2.0157 0.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4426 -2.2316 0.7974 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6273 -2.2079 -0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5946 -1.0467 -1.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5564 -1.2836 -2.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1685 -1.4342 -1.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7561 -0.2323 -1.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -0.3473 -0.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4024 -0.4742 -1.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9806 -0.5325 -1.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1047 -0.5476 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0091 -0.5604 -2.0877 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3466 -0.5870 -1.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6098 0.6876 -0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0595 1.8920 -1.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 3.0026 -0.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4089 4.3589 -1.6098 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9706 4.0978 -2.0678 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3897 4.7714 -2.9137 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.3241 5.6900 -0.5747 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6286 6.0278 -0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6617 7.2188 0.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0614 8.3867 0.0974 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.6374 8.2636 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4723 8.5484 -1.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5435 9.5425 0.8307 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9225 0.8369 -0.4413 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2586 0.8772 0.9048 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3046 0.7651 1.7163 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6664 1.0444 1.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3477 -0.2582 1.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6204 -0.8963 2.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2251 -2.1711 3.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3262 -3.2689 2.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0357 -3.6779 1.7460 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9349 -4.7304 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0928 -5.3565 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0587 -6.3949 -0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8357 -6.8131 -1.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7408 -7.8719 -1.9536 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.7467 -8.6073 -1.9572 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7530 -8.0736 -2.8452 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.6777 -6.1878 -0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3841 -6.3810 -0.9128 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6786 -5.5281 -0.2442 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4383 -4.7702 0.5011 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7195 -5.1352 0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8398 -4.4951 1.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6098 -4.4483 0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7833 -4.6993 0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3898 -2.1882 1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6470 -2.4687 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8624 -2.4203 -1.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1935 -2.8900 -0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4932 -0.4909 -1.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6937 -0.3210 -0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0806 -0.3389 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7058 0.9009 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8624 0.0047 1.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8203 -0.2530 -0.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2558 -2.1997 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3516 -2.8190 0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -3.2681 1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9698 -1.5784 1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5359 -2.3802 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8085 -3.1504 -1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4757 -0.0918 -0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5444 -0.9713 -1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8374 -2.2075 -2.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6370 -0.4524 -3.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0769 -2.4016 -1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5165 -1.5486 -2.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7648 0.6331 -1.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4991 0.0566 -0.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1996 -1.2337 0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1197 0.5280 0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4847 0.4011 -2.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5821 -1.3898 -2.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5601 -1.4634 -1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9615 -0.6752 -2.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9831 0.6235 0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5783 2.0782 -2.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 1.6231 -1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0732 5.1681 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2583 6.1737 -1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7187 7.4682 0.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 7.0140 1.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2314 9.2879 0.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 7.8332 -0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3659 7.6119 0.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2195 9.5912 -1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9435 7.8962 -1.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5809 8.4608 -1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7605 9.2823 1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8213 10.3688 0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5344 9.8702 0.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7635 1.7830 2.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1885 1.5591 0.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2948 -0.8776 0.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4000 -0.0204 1.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5188 -0.1494 3.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5621 -1.0621 2.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5961 -2.5108 4.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2116 -1.9149 3.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0305 -3.0663 1.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7787 -4.1525 2.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1734 -3.2015 2.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0477 -5.0241 0.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9490 -6.8875 -0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 20 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 46 48 1 0 45 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 42 1 0 53 49 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 30 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 32102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 43114 1 0 44115 1 0 M CHG 4 25 -1 29 1 46 1 48 -1 M END