HMDB0044082 RDKit 3D TG(16:0/18:1(11Z)/18:0) 165164 0 0 0 0 0 0 0 0999 V2000 1.1320 -5.4685 -1.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4858 -5.9744 -2.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 -5.0776 -1.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9257 -5.5320 -2.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0633 -4.7273 -1.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4464 -4.5804 -0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5621 -4.0673 0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7734 -2.9490 1.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9262 -2.0363 1.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4905 -0.6355 1.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7370 -0.3584 -0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4310 -0.5604 -1.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4914 -0.1707 -2.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2800 -1.0189 -2.7046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3078 -0.5526 -3.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7189 0.7791 -3.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7498 1.2482 -4.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1043 2.5312 -4.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 3.6171 -4.3386 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0105 2.4494 -3.2533 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 3.4520 -2.6937 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2033 3.4434 -3.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4149 3.6484 -4.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7194 3.5320 -4.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6475 3.2358 -4.0981 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1335 3.7252 -6.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2882 2.7760 -6.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7877 1.3260 -6.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7161 0.9909 -7.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0402 -0.2969 -7.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7043 -1.5971 -7.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6445 -1.8907 -5.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1587 -3.2800 -6.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0446 -3.8682 -5.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3538 -3.3201 -4.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5336 -1.9674 -4.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7775 -1.6425 -3.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1416 -2.5466 -1.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3483 -2.2235 -0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5776 -0.8149 -0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7673 3.3880 -1.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4839 3.5484 -0.5821 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 3.3984 0.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5609 3.1150 1.4267 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7301 3.5450 1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 3.1018 3.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6906 3.3141 3.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3391 2.7857 5.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 2.9768 6.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1035 2.4311 7.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9430 0.9587 7.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 0.2863 8.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3162 0.6729 9.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1799 0.3169 8.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1504 0.6718 9.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2439 0.2898 8.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1594 0.9572 6.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2401 2.4641 7.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1631 3.1060 5.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2407 4.6090 5.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1112 5.1458 6.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5126 -6.2855 -1.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5324 -5.0397 -2.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3028 -4.6318 -1.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -5.9827 -3.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 -7.0219 -1.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3655 -4.9592 -0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4108 -4.0766 -2.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9346 -5.4864 -3.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0716 -6.6447 -1.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9807 -5.1722 -2.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9872 -3.7269 -2.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4846 -4.1063 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -5.6421 0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6443 -4.5871 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0215 -2.6394 2.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6886 -2.4190 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4098 -1.9899 2.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8156 -0.3471 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3388 0.0900 1.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 0.7152 -0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 -0.9207 -0.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7778 -1.5770 -1.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3445 0.0912 -1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0838 -0.3376 -3.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2821 0.9135 -2.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5501 -2.0688 -3.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6952 -1.1468 -1.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5198 -1.3180 -3.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 -0.5477 -4.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5195 1.5254 -3.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1124 0.6828 -2.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3411 1.5001 -5.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0007 0.5049 -4.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3351 4.4449 -2.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6407 2.4604 -2.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7631 4.2136 -2.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3405 3.7104 -7.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6005 4.7602 -6.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0958 2.9226 -5.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7001 2.8105 -7.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7087 0.7488 -6.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5609 1.0831 -5.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1827 1.0200 -8.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8891 1.7908 -7.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4332 -0.2288 -6.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1287 -0.3225 -7.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8656 -2.3772 -7.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2024 -1.8113 -8.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4831 -1.2144 -5.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0363 -1.7710 -5.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2581 -3.9596 -6.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6307 -3.2984 -7.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2552 -4.9327 -5.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4309 -4.1422 -4.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9928 -3.4044 -5.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9208 -4.0307 -4.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6380 -1.8867 -3.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4866 -1.1607 -5.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6868 -1.6203 -3.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0614 -0.6030 -2.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2235 -2.3825 -1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0495 -3.6150 -2.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2750 -2.3925 -0.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7162 -2.9140 0.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4921 -0.8163 0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6078 -0.4578 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7847 -0.1164 -0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4401 4.1894 -0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1847 2.4236 -0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6344 3.0564 1.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9478 4.6505 1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2256 2.0193 3.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6548 3.7024 3.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5808 2.8386 3.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8187 4.4151 4.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4386 3.3561 5.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0999 1.7104 5.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3888 2.5494 5.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6585 4.0806 6.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2157 2.9698 8.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0071 2.6574 8.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2063 0.6814 6.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9185 0.5351 7.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5978 -0.8233 8.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4603 0.4509 9.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1717 -0.0095 10.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 1.6927 9.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.8067 7.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 -0.7797 8.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2979 -0.0052 10.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1885 1.7209 9.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2893 -0.8089 8.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2048 0.6031 8.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2569 0.6535 6.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0218 0.6104 6.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2484 2.6848 7.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4302 2.8132 7.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2526 2.7866 5.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0382 2.7354 5.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2275 5.0277 4.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2158 4.8670 6.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3646 4.3644 6.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4979 5.5505 7.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 5.9290 6.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 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 21 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 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 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 10 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 21 95 1 1 22 96 1 0 22 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 40128 1 0 41129 1 0 41130 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 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 61165 1 0 M END