HMDB0304428 RDKit 3D N-methylanthraniloyl-CoA 97100 0 0 0 0 0 0 0 0999 V2000 13.7594 0.9759 3.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5751 0.8236 3.0125 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6210 -0.0202 1.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9100 -0.5093 1.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0928 -1.2788 0.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0122 -1.5747 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7476 -1.0948 -0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5289 -0.3122 1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2067 0.1261 1.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0581 0.7509 2.6095 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7463 -0.0614 0.5780 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6443 -0.8136 -0.9865 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1668 -0.7253 -1.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 0.6731 -1.6067 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7243 1.1621 -1.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5044 2.5614 -1.5832 O 0 0 0 0 0 1 0 0 0 0 0 0 4.5346 0.3115 -1.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9887 0.6343 0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 -0.1270 0.4770 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6017 0.1998 0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6878 -0.7799 0.8052 O 0 0 0 0 0 1 0 0 0 0 0 0 1.1700 1.4943 -0.1294 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4785 2.2220 0.8510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2032 1.4132 -1.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9090 0.6683 -2.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0114 2.8813 -1.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1223 0.8112 -0.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8993 0.8069 -2.1138 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4291 0.1478 -1.8163 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.8261 0.6200 -0.4159 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5934 0.7229 -2.8888 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4371 -1.5232 -1.8227 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3274 -2.0894 -0.5025 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.2938 -3.6206 -0.4926 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5920 -1.5038 0.9044 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9392 -1.5967 -0.5559 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6725 -2.3516 -1.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1093 -1.8770 -1.4882 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7144 -2.0044 -0.2547 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5189 -0.8830 -0.0790 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.9719 -0.7147 1.2557 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2193 -1.1091 1.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4002 -0.8451 2.9433 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2751 -0.2814 3.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9207 0.1897 4.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8203 0.1155 5.7311 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6812 0.7162 4.7546 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8356 0.7792 3.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1644 0.3279 2.4777 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3905 -0.1996 2.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5605 0.2076 -0.5491 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.1755 1.4266 -0.6973 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1717 -0.4195 -1.8876 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.2482 -0.1718 -2.7453 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8066 0.6328 -4.1420 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.3164 -0.3474 -5.2066 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6502 1.8308 -3.8570 O 0 0 0 0 0 1 0 0 0 0 0 0 -10.1815 1.3870 -4.7799 O 0 0 0 0 0 1 0 0 0 0 0 0 14.1611 -0.0512 4.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4317 1.4317 4.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4793 1.5835 3.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7455 1.3702 3.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7725 -0.2796 2.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0866 -1.6629 0.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1327 -2.1982 -1.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9512 -1.3774 -0.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8347 -1.9083 -1.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2626 -0.3155 -1.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5280 -1.3061 -0.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1513 -1.1552 -2.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 0.6317 -2.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7082 -0.7628 -1.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8221 1.7220 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8424 0.4435 0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9936 2.1465 -0.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0712 1.5883 1.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1971 0.1959 -3.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5147 -0.1906 -2.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6098 1.3694 -2.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 3.2491 -2.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 2.9852 -2.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2904 3.4053 -0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6839 1.4000 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 -0.2225 -0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 0.0905 -3.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2463 -2.2281 1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2988 -2.2098 -2.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5968 -3.4043 -1.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6477 -2.5297 -2.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3278 -0.9219 -0.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9820 -1.5791 1.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8021 0.4430 5.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5420 -0.2572 6.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8582 1.2255 3.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6656 0.2860 0.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6187 2.1307 -0.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2161 -0.0433 -2.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 3 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 3 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 33 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 45 47 1 0 47 48 2 0 48 49 1 0 49 50 2 0 40 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 8 3 1 0 53 38 1 0 50 41 1 0 50 44 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 4 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 13 70 1 0 17 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 22 75 1 6 23 76 1 0 25 77 1 0 25 78 1 0 25 79 1 0 26 80 1 0 26 81 1 0 26 82 1 0 27 83 1 0 27 84 1 0 31 85 1 0 35 86 1 0 37 87 1 0 37 88 1 0 38 89 1 6 40 90 1 6 42 91 1 0 46 92 1 0 46 93 1 0 48 94 1 0 51 95 1 1 52 96 1 0 53 97 1 6 M CHG 4 16 -1 21 -1 57 -1 58 -1 M END