HMDB0060378 RDKit 3D 3-Oxoadipyl-CoA 100102 0 0 0 0 0 0 0 0999 V2000 0.2975 0.7257 -1.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -0.4813 -1.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4261 -1.4995 -2.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2345 -1.1489 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 -1.4495 -0.5272 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2847 -2.0924 -0.1290 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1181 -3.4342 0.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1970 -2.5434 -1.5564 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 -1.1740 0.8427 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6994 0.3220 0.3044 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5574 1.1007 -0.1884 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2796 1.2203 1.7089 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9946 0.4032 -0.8011 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8137 -0.7644 -0.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0475 -0.3145 0.0077 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.7750 0.6643 -0.6348 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7542 0.9207 0.4195 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.8101 1.6454 -0.1922 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5737 1.2738 -1.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4386 2.2500 -1.5549 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2552 3.2768 -0.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8754 4.5010 -0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9101 4.8402 -1.5236 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4657 5.3387 0.3471 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.4661 4.9813 1.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8650 3.7768 1.0821 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2292 2.8899 0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0895 -0.4438 0.9902 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.8788 -0.4942 2.3581 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1019 -1.3777 0.2397 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7355 -2.4361 0.9883 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2232 -3.8938 0.2305 P 0 0 0 0 0 5 0 0 0 0 0 0 -9.6463 -3.6192 -0.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2847 -5.1205 1.3583 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2393 -4.2633 -1.0704 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3817 0.1244 -0.5082 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8971 0.9077 -1.5764 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2592 0.7977 0.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3252 1.7558 1.1307 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 0.5143 1.7376 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1157 -0.4757 1.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2105 0.1505 0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1152 -0.9627 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5229 -2.0180 -0.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3016 -1.0342 0.4837 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1349 -0.1684 1.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4929 1.0067 0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1224 0.4114 -1.2355 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5397 -0.6136 -1.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1341 -0.8529 -2.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1314 -1.2304 0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5240 -1.6451 -0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7954 -2.7139 -0.6834 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6281 -0.6824 0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0473 0.7021 0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0395 1.7739 0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1927 1.5088 0.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5722 3.0672 0.3677 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0045 1.2259 -0.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0114 1.3858 -2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 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-0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1731 -0.7085 -0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2973 0.3035 -2.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3148 2.6726 0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6338 -0.7187 2.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7865 -1.4279 1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9743 0.7596 -0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7564 0.8267 1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7727 -2.9606 -0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9769 -0.6706 1.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5789 0.3297 2.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1954 1.7210 0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5537 1.5716 0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1112 -0.6550 0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4944 -2.1392 0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8849 -0.9212 1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4739 -0.7941 -0.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7516 0.9197 -0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2134 0.8476 0.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5943 3.2872 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 10 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 17 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 32 35 1 0 2 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 2 3 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 2 3 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 30 15 1 0 27 18 1 0 27 21 1 0 1 59 1 0 1 60 1 0 1 61 1 0 3 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 8 67 1 0 12 68 1 0 14 69 1 0 14 70 1 0 15 71 1 1 17 72 1 1 19 73 1 0 23 74 1 0 23 75 1 0 25 76 1 0 28 77 1 1 29 78 1 0 30 79 1 6 34 80 1 0 35 81 1 0 36 82 1 1 37 83 1 0 39 84 1 0 41 85 1 0 41 86 1 0 42 87 1 0 42 88 1 0 44 89 1 0 46 90 1 0 46 91 1 0 47 92 1 0 47 93 1 0 51 94 1 0 51 95 1 0 54 96 1 0 54 97 1 0 55 98 1 0 55 99 1 0 58100 1 0 M END