HMDB0043726 RDKit 3D TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z)) 170169 0 0 0 0 0 0 0 0999 V2000 -0.4994 -4.1106 6.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3092 -2.9219 5.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7278 -3.1457 5.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6507 -3.2132 4.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3524 -3.0654 3.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1367 -1.9227 3.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0296 -2.0013 2.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3444 -3.2740 1.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7971 -3.5400 1.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6939 -3.6489 0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3912 -3.5231 -0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1711 -2.3953 -1.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 -1.3377 -1.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2016 -1.0592 -2.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8645 -0.8560 -3.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3585 0.2840 -3.8399 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1156 1.3866 -2.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6493 1.7885 -2.8696 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4406 2.8794 -1.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0401 3.3266 -1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 4.4195 -2.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0289 2.5915 -1.1362 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3088 3.1498 -1.0986 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6402 3.3299 0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6749 2.0743 1.0071 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8961 1.9959 2.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 3.1657 2.9126 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 0.8463 3.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3188 -0.4834 2.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4704 -1.2801 1.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0825 -0.7878 0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2908 -1.9499 -0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1236 -1.5234 -1.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9013 -2.6461 -2.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 -2.2403 -3.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2107 -1.9193 -4.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8349 -2.8878 -4.8888 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5027 -4.1765 -5.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3326 -5.1301 -4.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0452 -6.3469 -4.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3364 -6.9271 -4.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1101 -7.3689 -3.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2876 -8.3954 -2.8495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0242 -8.8670 -1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3761 -7.7910 -0.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -7.0318 -0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2228 -7.8450 0.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8581 -6.8803 1.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2612 2.3742 -1.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5686 2.8222 -2.0058 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5635 2.8011 -1.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4365 2.2864 0.0333 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9192 3.4125 -1.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9222 4.8033 -0.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 5.6533 -1.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7132 7.0009 -0.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3072 6.8170 0.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1563 8.1802 1.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7357 8.1211 2.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4155 7.4380 2.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0102 7.4019 4.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6695 6.7099 4.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 6.6834 6.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0382 6.0155 6.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0557 4.5921 5.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4474 4.0144 6.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2134 -4.9354 6.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 -4.4657 5.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0205 -3.8458 7.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0006 -2.6121 4.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 -2.0570 6.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 -3.2591 6.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6945 -3.3824 5.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -4.0277 3.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2649 -2.8355 3.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9255 -0.9573 3.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5639 -1.0741 1.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8132 -4.1593 1.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1451 -3.1005 0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0264 -3.6338 2.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7261 -3.8459 1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8689 -4.4927 -1.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3707 -3.5941 -0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2748 -2.4727 -1.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3781 -0.5676 -2.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6626 -2.0260 -1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8188 -0.3418 -1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0462 -1.6749 -4.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0997 0.4474 -4.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6036 1.3832 -1.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5986 2.2998 -3.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9622 0.9848 -2.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3908 2.1942 -3.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1308 3.7100 -2.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8024 2.4572 -0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2556 4.1775 -1.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7569 3.8914 0.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5039 3.9664 0.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7716 1.0627 4.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0387 0.8085 3.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3455 -0.3657 2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6532 -1.1170 3.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9065 -2.3404 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4796 -1.4558 2.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9268 -0.5816 -0.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2977 0.0113 0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9164 -2.8559 -0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5898 -2.1726 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8303 -0.6777 -1.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7487 -1.2185 -2.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8263 -2.8417 -1.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2786 -3.5351 -2.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8491 -1.2260 -3.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1071 -2.8411 -4.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7026 -1.5587 -5.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2883 -0.9797 -4.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5455 -2.3605 -5.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5012 -3.0245 -3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4181 -4.6922 -5.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0346 -3.9195 -6.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -4.8792 -4.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6761 -6.9956 -3.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -6.4135 -5.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1169 -7.9202 -5.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3342 -6.5491 -2.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0658 -7.7957 -3.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9984 -9.1819 -3.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3489 -7.8993 -2.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9946 -9.3713 -1.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4301 -9.6366 -1.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0976 -7.0588 -1.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 -8.2970 0.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6283 -6.2664 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7315 -6.4406 -0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6762 -8.3947 1.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2642 -8.5753 -0.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4054 -5.8635 1.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6896 -6.7831 0.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2674 -7.2305 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9014 2.2666 -2.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3286 1.2947 -1.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7235 2.8283 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0401 3.5504 -2.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7935 4.6693 0.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8969 5.2555 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0345 5.8348 -2.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8785 5.1134 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9935 7.6368 -1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6956 7.5219 -0.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 6.2757 0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0288 6.2123 1.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4226 8.7428 0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1637 8.6864 1.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6564 9.1339 3.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4909 7.5317 3.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5102 6.3815 2.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 7.9944 2.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7656 6.8726 5.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9002 8.4515 4.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 7.3371 4.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7423 5.6933 4.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1772 7.7473 6.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0409 6.2066 6.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3071 6.0915 7.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8178 6.6224 5.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2926 4.0414 6.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8622 4.5570 4.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2316 4.7837 6.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4616 3.5345 7.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6838 3.2690 5.2221 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 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 23 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 23 96 1 6 24 97 1 0 24 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 38119 1 0 38120 1 0 39121 1 0 40122 1 0 41123 1 0 41124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 48139 1 0 49140 1 0 49141 1 0 53142 1 0 53143 1 0 54144 1 0 54145 1 0 55146 1 0 55147 1 0 56148 1 0 56149 1 0 57150 1 0 57151 1 0 58152 1 0 58153 1 0 59154 1 0 59155 1 0 60156 1 0 60157 1 0 61158 1 0 61159 1 0 62160 1 0 62161 1 0 63162 1 0 63163 1 0 64164 1 0 64165 1 0 65166 1 0 65167 1 0 66168 1 0 66169 1 0 66170 1 0 M END