HMDB0052766 RDKit 3D TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) 159158 0 0 0 0 0 0 0 0999 V2000 -4.0669 6.6033 3.7668 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0886 5.4198 3.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9611 5.7460 4.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6704 5.0326 5.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4019 3.8233 6.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9066 4.1446 7.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1842 4.1207 7.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3093 3.8002 6.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9807 2.6150 7.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1736 1.4548 7.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7196 1.1163 5.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8552 0.6753 4.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8862 -0.5126 4.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7946 -1.4699 4.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1443 -1.8685 3.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9925 -2.7751 3.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2528 -3.2681 2.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0415 -4.1038 2.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0978 -3.2391 3.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7066 -2.0380 2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4374 -0.9858 3.3162 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6316 -2.0323 1.3356 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2938 -0.9466 0.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2736 -1.4490 -0.8896 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0490 -0.4234 -1.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4043 -1.1250 -3.1481 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6218 -1.7886 -3.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3232 -1.7318 -2.0934 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0708 -2.5444 -4.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4568 -3.1199 -4.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5929 -4.0901 -3.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0553 -4.5799 -2.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1229 -5.5939 -1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4176 -6.1943 -1.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5330 -5.2717 -0.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1132 -4.6192 0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1734 -3.3676 0.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6430 -2.2303 -0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2488 -2.2876 -1.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8913 -1.6911 -2.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7133 -0.7924 -2.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2777 0.5843 -3.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2139 1.6217 -3.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9372 2.9170 -3.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9557 4.0517 -3.8249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5087 -2.0305 -1.2814 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5889 -3.3001 -1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4554 -3.9190 -1.8433 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 -3.9796 -2.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0383 -3.1818 -2.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3298 -2.0603 -2.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4944 -0.8188 -3.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1933 0.0662 -4.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6722 1.2232 -3.7471 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6577 1.9271 -2.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0195 3.2382 -2.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9785 3.7526 -1.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2865 2.9969 -0.9658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8736 2.6998 -1.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0229 3.0662 -1.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0073 3.8998 -3.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4699 3.2011 -4.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 3.1492 -5.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4939 3.7438 -5.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5933 2.7664 -5.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5610 7.4795 3.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9838 6.3415 3.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3205 6.8982 4.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6413 4.5163 4.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6582 5.3336 2.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3594 6.6240 4.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 5.3997 6.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 2.9661 6.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1318 3.4229 5.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1674 4.4088 8.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4226 4.3803 8.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9675 3.7240 5.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0641 4.6412 7.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3620 2.7724 8.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6809 0.6670 7.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8777 0.4532 5.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3167 2.0215 5.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6879 1.3893 4.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7660 -0.7865 3.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0928 -1.3202 5.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3332 -2.4480 4.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8612 -1.0257 2.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8525 -2.5038 2.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3629 -2.2178 4.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4068 -3.6659 4.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9179 -3.9345 1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9707 -2.4314 1.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5109 -4.3682 1.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2792 -4.9926 3.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5128 -2.9879 4.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1818 -3.8332 3.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1081 -0.1831 0.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6627 -0.4852 0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5199 -2.2308 -0.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8723 0.2416 -1.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8769 0.1780 -2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1342 -1.8361 -5.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3632 -3.3480 -4.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 -3.6852 -5.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 -2.3269 -4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2755 -3.7871 -2.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 -5.0196 -3.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3596 -5.0666 -3.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6960 -3.7105 -2.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4168 -6.4490 -2.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6065 -5.1589 -0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3044 -7.0653 -0.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8241 -6.6426 -2.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4024 -5.9280 -0.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6580 -4.5460 -1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6947 -5.3471 1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7588 -3.1238 1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -1.4337 -0.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3658 -1.6676 0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1823 -2.8963 -1.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5116 -1.8786 -3.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0863 -1.1218 -3.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1439 -0.6412 -1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8437 0.5170 -4.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9881 0.9404 -2.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6936 1.8653 -2.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5245 1.3585 -4.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7079 3.2106 -2.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4723 2.7886 -4.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7780 4.5818 -2.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4150 4.7717 -4.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0370 3.6622 -4.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 -4.9548 -1.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6904 -4.3311 -3.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9092 -3.9414 -2.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2657 -2.8323 -1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4622 -2.4004 -4.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3751 -1.6759 -2.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5069 -1.1103 -3.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4567 -0.3439 -2.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2676 -0.3626 -5.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1840 1.7539 -4.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 1.3146 -1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7566 2.1923 -2.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4823 3.9111 -3.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7173 4.7864 -2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4469 3.5824 0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8393 2.0363 -0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5158 2.0018 -0.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0648 2.6500 -1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8741 4.6584 -2.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 4.5635 -3.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4697 2.7204 -4.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 2.5931 -6.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8635 4.4865 -4.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3716 4.3819 -6.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4352 1.7809 -5.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5883 3.1478 -5.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7164 2.6994 -7.0588 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 2 0 27 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 2 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 24 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 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 23 98 1 0 24 99 1 1 25100 1 0 25101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 45132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 60150 1 0 61151 1 0 61152 1 0 62153 1 0 63154 1 0 64155 1 0 64156 1 0 65157 1 0 65158 1 0 65159 1 0 M END