HMDB0049572 RDKit 3D TG(18:1(11Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 161160 0 0 0 0 0 0 0 0999 V2000 -3.5073 7.3124 3.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4368 5.7961 3.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2998 5.2597 4.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 4.6160 3.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1691 4.3265 2.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1058 5.0233 1.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0564 5.9844 0.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1273 6.5144 0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8574 6.4118 -1.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5832 5.7171 -1.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7889 4.8876 -1.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8873 5.5791 -2.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5239 5.0881 -3.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3267 3.8068 -4.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5320 3.0375 -4.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7176 1.8308 -3.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7577 0.9840 -3.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2344 0.2758 -1.9172 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1425 -0.5818 -1.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6730 -1.5120 -0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8236 -1.3765 0.1401 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8918 -2.5053 0.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2314 -3.4912 1.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0165 -4.4676 1.1379 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3702 -4.7407 2.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3205 -3.9609 2.8529 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6518 -4.2869 4.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0107 -5.2820 4.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4832 -3.4332 4.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6861 -3.6694 3.6612 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -2.7307 3.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9918 -3.0651 3.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0745 -2.0303 3.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2679 -2.3908 2.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3549 -1.3715 2.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5400 -1.7622 1.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0649 -2.0357 0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1460 -2.3925 -0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.7610 -1.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7493 -0.5805 -2.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1318 -0.7638 -3.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1400 -1.8197 -3.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8574 -1.7990 -3.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9261 -0.6922 -3.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3610 0.6991 -3.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4087 -4.3823 -0.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4756 -5.1541 -1.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1948 -6.2341 -1.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8576 -4.9400 -2.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1613 -3.6487 -2.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1045 -3.4328 -1.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6907 -2.0952 -2.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0187 -0.9053 -1.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0363 -0.6059 -0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -1.4459 0.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1197 -0.8382 2.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8652 -0.4480 3.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3115 -0.3789 3.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6089 1.0245 3.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4391 1.8014 3.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2741 1.4987 1.8682 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6947 1.7848 2.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3537 2.7838 1.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8465 3.6260 0.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7299 3.5610 -0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 7.7903 2.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0252 7.6168 4.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5403 7.7015 3.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4232 5.4528 3.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4801 5.4424 2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3416 5.4463 5.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5096 4.2533 4.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0219 4.5545 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0092 3.2168 2.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0545 4.7387 2.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0356 6.4693 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1439 7.6236 0.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0846 6.0935 0.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0268 6.9642 -1.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2814 5.7336 -3.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5682 3.8746 -2.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0109 4.9413 -0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1525 6.5637 -2.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3232 5.7472 -3.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4451 3.2806 -3.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0056 4.0705 -5.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3859 3.6066 -4.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7325 1.3856 -3.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7739 1.4149 -2.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5218 0.1273 -3.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6975 0.9564 -1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0616 -0.4088 -2.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 -1.1661 -2.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3350 -0.0131 -0.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1476 -3.9903 0.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3558 -3.1297 2.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6626 -5.4876 0.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1613 -4.7817 3.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9747 -5.8184 2.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7701 -3.8204 5.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2761 -2.3955 4.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0771 -4.7007 3.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4621 -3.6654 2.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5701 -1.6695 3.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2286 -2.8205 4.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6682 -2.9318 1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3346 -4.0966 3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -1.0247 2.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3910 -2.0445 4.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8547 -2.4317 1.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5829 -3.3886 2.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6581 -1.2308 3.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0214 -0.3805 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9815 -2.6708 1.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2848 -0.9437 1.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4572 -3.0071 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3513 -1.2868 -0.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7449 -3.2932 -0.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2848 -2.1262 -2.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0271 -0.1255 -1.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5385 0.2273 -2.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9859 -1.0111 -4.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8134 0.2608 -4.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6506 -2.8090 -3.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9015 -1.8913 -4.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8977 -1.8866 -2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3274 -2.7584 -3.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5391 -0.7851 -4.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9889 -0.8722 -2.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6378 1.1800 -4.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0759 0.8703 -2.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4479 1.3037 -3.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6569 -5.0611 -3.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1323 -5.7579 -2.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9057 -2.8268 -2.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9735 -3.5360 -3.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -3.6203 -0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -4.2465 -2.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7975 -2.1160 -1.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7641 -2.0271 -3.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -0.8030 -2.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5253 -0.0075 -2.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5073 0.4206 -0.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.3085 0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6774 -1.3041 0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 -2.5065 0.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9812 -0.7816 2.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3454 -0.0219 4.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6262 -0.9793 4.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9029 -0.7868 2.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0237 1.3809 4.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5248 2.8556 3.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0429 1.8679 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3211 0.3591 1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0962 1.1876 3.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3733 2.9371 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9799 4.7164 1.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7707 3.5951 0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5935 4.2873 -0.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1860 3.9489 -1.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2042 2.6012 -0.6465 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 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 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 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 1 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 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 0 23 96 1 0 24 97 1 6 25 98 1 0 25 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 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 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 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 65161 1 0 M END