HMDB0301071 RDKit 3D Dodeca-2,5,8-trienedioyl-CoA 113115 0 0 0 0 0 0 0 0999 V2000 -0.5520 1.3837 -1.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1712 0.0640 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8513 -0.4139 -2.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2296 0.2244 -0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2064 1.0809 -0.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4650 1.3064 0.4279 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.6561 1.9461 -0.2569 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9423 2.3438 1.6364 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8548 -0.1690 1.1094 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6098 -1.2323 0.0436 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.6001 -2.6327 0.6484 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7218 -1.3386 -1.3918 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1762 -0.7002 -0.2525 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8468 -0.3777 0.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2077 0.0880 0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9943 0.4693 1.6458 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2999 0.5149 1.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8287 1.8627 1.2144 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.1209 2.9929 1.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9878 4.0285 1.3732 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.2329 3.5807 1.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4485 4.1996 0.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5782 5.6036 1.0838 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.5367 3.4596 0.7368 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.4228 2.1252 0.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2370 1.5234 0.7858 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.0922 2.1949 1.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3863 -0.1316 -0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4748 -0.9964 -0.2748 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0565 -0.8974 -0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6343 -1.1839 -1.4704 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5466 -2.8580 -1.6378 P 0 0 0 0 0 5 0 0 0 0 0 0 -9.9684 -3.2089 -3.0615 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0266 -3.4769 -1.3046 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6680 -3.6317 -0.6247 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2193 -1.0190 -0.8759 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0385 -2.1510 -0.6101 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5232 -0.7125 0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -1.3019 1.4552 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5804 0.2288 0.3761 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3187 0.4894 1.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9647 -0.8011 2.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9674 -1.2809 0.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4186 -0.3225 0.2944 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2395 -2.6024 0.8340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5159 -3.9447 0.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8704 -4.4873 1.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2594 -3.9023 0.0845 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8077 -2.2767 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2340 -1.4752 1.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1459 -1.8533 -0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0996 -1.9744 1.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4656 -1.6475 0.6538 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8691 -1.2772 -0.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3403 -0.9883 -0.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6216 0.4068 -1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3060 1.2189 -0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6567 2.6245 -0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1439 2.8122 -0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6539 3.6766 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0459 3.9531 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4466 4.8121 1.3443 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0446 3.3211 -0.2414 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2938 1.3044 -2.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3525 1.9980 -2.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 1.9739 -0.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7961 0.1330 -2.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0557 -1.4972 -2.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -0.1814 -3.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 -0.7287 0.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7414 0.7584 0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4127 3.1933 1.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1093 -0.6968 -2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3282 0.4649 1.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8568 -1.2653 1.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1011 0.9794 -0.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9570 -0.0952 1.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0630 2.9736 1.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9111 6.1937 0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2726 6.0853 1.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3572 1.5915 0.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3535 0.6398 -0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8807 -0.9954 -1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1839 -1.8059 0.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7367 -4.1783 -1.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5399 -3.7506 -1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4505 -1.3372 -1.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5702 -2.6645 0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8706 0.7595 -0.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6393 0.8892 2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0858 1.2932 1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 -1.5538 2.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 -0.5640 2.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1043 -2.3473 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8095 -4.5925 1.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2229 -4.3721 -0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1124 -4.3672 2.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8619 -5.6191 0.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4067 -2.4865 -1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0176 -0.7904 -0.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7034 -1.3150 1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0543 -3.0472 1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2246 -1.7199 1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2602 -1.1713 -1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7296 -1.6944 -1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8288 -1.2297 0.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2843 0.7822 -2.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6473 0.8213 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3497 2.9374 -1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1584 3.2672 0.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7666 2.2472 -1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9547 4.2199 0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9650 3.2919 -1.2377 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 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 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 1 0 53 54 2 3 54 55 1 0 55 56 1 0 56 57 2 3 57 58 1 0 58 59 1 0 59 60 2 3 60 61 1 0 61 62 2 0 61 63 1 0 30 15 1 0 27 18 1 0 27 21 1 0 1 64 1 0 1 65 1 0 1 66 1 0 3 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 8 72 1 0 12 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 17 77 1 0 19 78 1 0 23 79 1 0 23 80 1 0 25 81 1 0 28 82 1 0 29 83 1 0 30 84 1 0 34 85 1 0 35 86 1 0 36 87 1 0 37 88 1 0 40 89 1 0 41 90 1 0 41 91 1 0 42 92 1 0 42 93 1 0 45 94 1 0 46 95 1 0 46 96 1 0 47 97 1 0 47 98 1 0 51 99 1 0 51100 1 0 52101 1 0 52102 1 0 53103 1 0 54104 1 0 55105 1 0 55106 1 0 56107 1 0 57108 1 0 58109 1 0 58110 1 0 59111 1 0 60112 1 0 63113 1 0 M END