HMDB0055620 RDKit 3D TG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/O-18:0) 166165 0 0 0 0 0 0 0 0999 V2000 2.0345 -5.3835 1.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8381 -6.8437 0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -7.5848 1.8896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0441 -8.1769 1.6932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7786 -8.2134 0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1197 -7.5881 0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5221 -6.5575 -0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 -5.8326 -1.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5047 -5.8737 -2.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0233 -6.3776 -3.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -6.9662 -3.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0694 -6.2173 -4.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1646 -5.5206 -4.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -5.4222 -3.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8543 -3.9652 -2.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7502 -3.2566 -3.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0801 -1.8276 -3.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6609 -1.3363 -2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7503 -1.2172 -0.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7353 -0.1316 -1.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8244 0.5923 -2.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6906 0.1397 -0.3268 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1816 1.2246 -0.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2909 1.3418 0.4277 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8185 1.2655 1.8563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8685 1.3310 2.7469 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4394 1.0502 4.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 1.2276 5.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1272 2.5777 5.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3262 3.5749 5.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9473 3.7770 5.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 4.8945 6.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1587 5.1032 5.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8909 3.8087 5.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3902 3.9450 5.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9297 2.5608 5.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 2.2278 5.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4147 2.8013 6.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5558 4.2739 6.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6581 4.8825 4.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8046 6.3774 4.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8995 7.0783 3.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6642 6.8468 2.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4234 7.3612 3.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 2.5067 0.2132 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4001 2.4535 -0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8773 1.2696 -0.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2042 3.6714 -0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6315 3.3724 -0.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8991 2.4924 -1.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3494 3.0403 -3.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9359 4.3346 -3.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6140 4.5383 -4.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8777 3.5170 -5.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3885 3.8593 -6.9399 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5243 3.1889 -7.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8997 1.9585 -7.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1193 0.7406 -7.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1235 0.0534 -8.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6854 0.3447 -8.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9479 -0.7084 -7.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1416 -2.0748 -8.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4165 -3.1314 -7.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9105 -3.1793 -5.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0916 -4.8327 1.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7142 -4.8607 0.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5267 -5.3668 2.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8768 -7.2716 0.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4603 -6.9250 -0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5747 -7.6128 2.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 -8.6999 2.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2132 -7.7817 -0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0241 -9.3054 0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7638 -8.0701 1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5325 -6.1716 0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8442 -4.7344 -0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7056 -6.0144 -1.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5215 -5.4389 -2.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6068 -6.3959 -4.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1733 -7.2103 -2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8574 -7.9943 -4.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3468 -6.2504 -5.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6064 -5.0337 -5.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3883 -6.0742 -2.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8569 -5.7173 -3.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8803 -3.5064 -2.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3673 -4.0195 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3536 -3.3436 -4.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 -3.8507 -3.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8355 -1.5440 -4.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2198 -1.1532 -3.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2035 -0.3432 -2.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5421 -2.0219 -1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 -0.8200 -0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3242 -2.1245 -0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6111 1.2378 -1.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3855 2.2053 -0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9403 0.4206 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1219 2.0987 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2107 0.3234 1.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2478 -0.0704 4.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4955 1.5001 4.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 0.7516 5.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 0.5378 4.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1997 2.5327 5.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 2.9803 4.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8829 4.5562 6.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2047 3.2164 7.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8446 4.0360 4.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 2.8496 5.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8491 5.8246 6.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2663 4.6439 7.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 5.3827 4.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6516 5.9089 6.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9204 3.4117 6.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 3.0633 5.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 4.6196 6.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4812 4.3466 4.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6629 2.2024 6.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2621 1.8423 5.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4252 2.4107 4.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 1.0810 5.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3889 2.2918 5.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 2.5083 7.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 4.7779 6.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5900 4.4638 6.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6095 4.5024 4.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8389 4.5749 4.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0097 6.8379 5.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7633 6.5510 5.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9697 8.1664 3.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7485 6.6772 2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7768 7.4389 1.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5103 5.7970 2.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1859 6.6907 4.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 8.3627 3.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5865 7.2594 2.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1467 4.3015 0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7198 4.2220 -1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1718 4.3336 -0.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0641 2.8666 0.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0296 2.4624 -1.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6168 1.4400 -1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4612 2.2299 -3.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2534 3.2232 -2.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7727 5.1714 -2.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0367 5.5557 -4.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0423 3.5712 -5.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7616 2.4776 -5.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7980 4.7688 -7.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2286 3.5244 -8.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7861 2.1918 -7.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1938 1.8307 -6.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1723 0.4312 -8.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4568 -0.8587 -8.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4637 1.3675 -8.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2702 0.2580 -9.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4008 -0.6799 -6.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8536 -0.5298 -7.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2246 -2.3232 -8.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8215 -2.0529 -9.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3397 -2.8775 -7.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5362 -4.1135 -7.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -2.1668 -5.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8996 -3.6657 -5.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1923 -3.7935 -5.2741 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 1 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 1 0 27 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 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 24 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 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 0 23 97 1 0 24 98 1 6 25 99 1 0 25100 1 0 27101 1 0 27102 1 0 28103 1 0 28104 1 0 29105 1 0 29106 1 0 30107 1 0 30108 1 0 31109 1 0 31110 1 0 32111 1 0 32112 1 0 33113 1 0 33114 1 0 34115 1 0 34116 1 0 35117 1 0 35118 1 0 36119 1 0 36120 1 0 37121 1 0 37122 1 0 38123 1 0 38124 1 0 39125 1 0 39126 1 0 40127 1 0 40128 1 0 41129 1 0 41130 1 0 42131 1 0 42132 1 0 43133 1 0 43134 1 0 44135 1 0 44136 1 0 44137 1 0 48138 1 0 48139 1 0 49140 1 0 49141 1 0 50142 1 0 50143 1 0 51144 1 0 51145 1 0 52146 1 0 53147 1 0 54148 1 0 54149 1 0 55150 1 0 56151 1 0 57152 1 0 57153 1 0 58154 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 64166 1 0 M END