HMDB0044542 RDKit 3D TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)) 161160 0 0 0 0 0 0 0 0999 V2000 6.0770 -5.2881 -3.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2242 -4.5195 -1.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9274 -5.3948 -0.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9314 -5.1190 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0163 -3.9817 -0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0771 -3.1096 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0696 -2.8392 1.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7483 -3.3852 1.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5941 -2.5699 1.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5272 -1.3218 1.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6159 -0.3557 1.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 0.7109 2.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1464 1.9551 1.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3285 2.3682 0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0393 2.9488 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1039 1.9412 -0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3104 2.6242 -0.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5394 1.8050 -0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6836 2.4469 -1.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4737 2.4965 -2.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4406 1.9358 -3.2644 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2860 3.0955 -3.6834 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0434 3.0923 -5.0599 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8090 4.4785 -5.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6924 5.0286 -4.8953 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4222 4.5514 -4.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1594 3.5183 -5.6033 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2883 5.2048 -4.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0746 4.2957 -4.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0794 4.8911 -3.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2019 3.8538 -3.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4090 4.3070 -2.6951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4536 3.1928 -2.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 3.5728 -1.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6226 2.4474 -2.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0122 1.7318 -1.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5374 1.9875 0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7287 2.2702 1.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0814 1.5813 2.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3163 0.4242 2.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1831 -0.8410 2.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3929 -0.7129 3.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0525 -0.4850 5.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2236 -1.6067 5.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0606 2.3011 -5.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9938 0.9711 -5.3613 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7326 -0.0878 -5.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5527 0.0781 -6.7179 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5718 -1.4487 -5.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6977 -1.3915 -3.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5893 -2.7963 -3.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7540 -2.9159 -2.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3210 -2.0885 -1.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4866 -2.2192 0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1344 -1.3660 1.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4306 -1.3831 2.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1979 -0.4839 3.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6572 -0.3657 4.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6067 -1.6966 5.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9529 -2.2969 5.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9980 -3.5450 6.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1955 -4.7082 6.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7209 -4.5957 6.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7354 -6.1625 -3.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4285 -4.6151 -4.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9996 -5.5191 -3.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3469 -4.2772 -1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7414 -3.5531 -1.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5685 -6.2777 -0.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7730 -5.8163 0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1374 -3.3737 -1.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9852 -4.4128 -0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0678 -2.6496 1.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3405 -2.1776 2.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4874 -3.8069 2.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7377 -4.3703 1.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4135 -3.1318 1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4791 -0.8832 0.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6408 -0.6932 1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6446 0.0930 0.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 0.4849 3.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8908 2.7602 2.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8231 1.7517 -0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0229 3.3216 0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1186 3.1372 -1.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 3.8702 0.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3572 1.7559 1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8225 1.0511 -0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4322 3.5772 -0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 2.7302 -1.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8394 1.6421 0.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3135 0.7974 -0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9485 3.4170 -0.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5743 1.7918 -1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0908 2.5148 -5.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6848 5.1480 -5.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5307 4.4353 -6.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6045 5.3109 -3.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0726 6.1791 -4.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1939 4.0953 -5.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2965 3.3199 -3.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7913 5.1058 -2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4314 5.8121 -3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4541 3.6236 -4.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8563 2.8893 -3.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8358 5.2242 -3.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1482 4.5129 -1.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0476 2.2570 -2.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7810 3.0740 -3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1699 4.4150 -2.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4782 3.9911 -0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0029 2.2155 -3.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7121 0.9176 -1.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8253 2.8136 0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0080 1.0427 0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3778 3.1290 0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9740 1.8675 2.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3478 0.2446 2.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1178 0.6300 3.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4947 -1.0939 1.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5220 -1.6546 3.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9967 0.1412 3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -1.6510 3.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5837 0.4949 5.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -0.4737 5.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5899 -2.5774 5.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1666 -1.3984 5.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3891 -1.5951 6.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0588 2.7308 -5.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6756 2.2557 -6.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5284 -1.9115 -4.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0705 -2.0968 -5.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0843 -0.7045 -3.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6704 -1.0971 -4.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6175 -3.1702 -3.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1799 -3.4580 -4.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8624 -3.9877 -1.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6943 -2.7408 -2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4707 -1.0247 -1.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3436 -2.4636 -0.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4429 -1.9159 0.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4578 -3.2543 0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1810 -0.3326 0.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1582 -1.7688 1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3647 -2.3820 3.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4017 -0.9515 2.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2629 -0.8156 3.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1967 0.5605 3.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3712 0.2638 5.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6392 0.0421 4.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9417 -2.3872 5.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1672 -1.5032 6.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4340 -2.4899 4.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6272 -1.5144 6.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1088 -3.8458 6.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7989 -3.3042 7.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5905 -5.0399 5.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4812 -5.5615 6.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2131 -4.5409 5.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3308 -3.7687 6.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2972 -5.5732 6.6181 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 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 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 1 24 96 1 0 24 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 63161 1 0 M END