HMDB0005444 RDKit 3D TG(16:1(9Z)/18:2(9Z,12Z)/20:0) 167166 0 0 0 0 0 0 0 0999 V2000 7.2901 -0.9067 4.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1341 0.0276 4.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7795 -0.6051 4.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4887 -1.5240 2.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6083 -0.8314 1.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2464 -1.8686 0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0039 -2.3331 -0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4073 -1.8601 -0.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4468 -1.2997 -1.8789 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8012 -0.0943 -2.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2234 0.8805 -1.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3272 2.1274 -1.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2544 2.7949 -2.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3925 4.0302 -2.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1304 4.7412 -3.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4023 3.7966 -4.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1567 3.3565 -3.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2784 2.4377 -4.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4713 2.2298 -5.8808 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2362 1.8070 -4.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3253 0.9237 -4.5804 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3287 -0.4708 -4.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0018 -0.8213 -2.8306 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0089 -2.1774 -2.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3191 -2.9210 -3.5277 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3078 -2.8996 -1.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9031 -2.1904 -0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1569 -3.2714 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 -2.5624 2.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1248 -3.4975 3.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8065 -2.7754 4.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9704 -1.6607 4.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6969 -1.0007 6.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2643 -0.9371 7.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0037 -1.5127 7.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 -0.4606 8.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5572 0.2866 9.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3778 1.2686 9.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 2.3857 9.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7964 1.9991 8.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0809 1.5605 -4.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0614 0.6530 -4.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4474 -0.1544 -5.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8555 -0.1332 -6.8908 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6094 -1.1018 -5.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8707 -1.8661 -6.8249 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9419 -2.8894 -6.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8354 -4.0250 -5.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8625 -4.0450 -4.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0945 -3.6277 -3.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6240 -2.2936 -3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8886 -1.2371 -2.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6968 0.0131 -3.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3788 1.2363 -2.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9571 1.7086 -2.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8604 3.0681 -1.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5276 3.6682 -1.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4564 3.2048 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0906 1.7973 -0.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8168 1.6980 -0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9428 2.2981 1.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0229 1.7349 2.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9412 2.5076 3.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9783 -0.6478 4.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9204 -1.9426 4.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8942 -0.9119 3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1800 0.6593 5.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1549 0.7735 3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6749 -1.2012 5.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0300 0.2043 4.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1705 -2.4124 3.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -1.9345 3.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5597 -0.3460 1.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8179 -0.0230 1.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 -2.3068 0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6049 -3.1372 -0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7528 -1.2479 0.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.7924 -0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1428 -1.9922 -2.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7942 0.2434 -3.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2203 1.2891 -1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4570 0.5269 -0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3019 1.8817 -0.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7383 2.8930 -0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2748 3.1423 -2.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8427 2.0787 -3.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 4.7598 -1.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5293 3.9125 -1.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5098 5.6251 -3.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1005 5.0833 -4.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1241 4.4115 -5.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0557 2.9974 -4.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5391 4.2677 -3.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4255 2.9121 -2.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6095 0.9125 -5.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -1.0481 -4.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3198 -0.9423 -4.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6791 -3.3565 -0.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9667 -3.8118 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0961 -1.5707 0.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8337 -1.6722 -0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1849 -3.7095 1.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7793 -4.0786 0.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7695 -2.1450 1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1913 -1.7024 2.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7578 -4.3299 2.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1983 -4.0130 3.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7017 -2.2686 3.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1121 -3.5265 5.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9821 -2.0544 5.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8942 -0.9037 4.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6828 -0.5315 5.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9181 -0.4033 8.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2235 -2.1379 8.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 -2.2108 7.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1842 0.2582 7.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9191 -0.9707 8.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5026 0.8578 9.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8544 -0.4160 10.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0629 1.7279 10.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2913 0.7341 10.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0708 2.9969 8.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 3.0504 9.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7489 2.6575 8.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3454 2.1318 7.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1923 0.9971 8.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1999 2.2211 -3.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1057 2.2787 -5.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3014 -1.6909 -4.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5169 -0.5344 -5.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9586 -2.3670 -7.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1011 -1.0911 -7.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9700 -2.4076 -6.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9551 -3.3430 -7.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6227 -4.7958 -6.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8703 -4.5908 -6.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9171 -3.6925 -3.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7809 -5.1849 -4.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0590 -4.0160 -2.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9258 -4.3052 -4.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8052 -1.7919 -4.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6589 -2.3169 -3.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0213 -1.5190 -1.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8293 -1.1489 -3.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7768 -0.3161 -2.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6535 0.1758 -4.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0128 2.0707 -2.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6149 1.2060 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3049 0.9656 -2.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8302 1.8390 -3.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6271 3.7550 -2.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2271 2.9402 -0.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1173 3.5471 -3.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5793 4.8124 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5473 3.6933 -0.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 3.7658 -1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9785 1.2327 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 1.2733 -0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0465 2.2455 -0.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4508 0.6675 -0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9986 3.4013 1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0183 2.1477 1.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0417 1.8839 1.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7722 0.6812 2.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7469 2.1424 4.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1276 3.5785 3.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9735 2.3001 3.9108 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 2 0 7 8 1 0 8 9 1 0 9 10 2 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 2 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 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 3 70 1 0 4 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 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 6 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 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 40126 1 0 41127 1 0 41128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 62163 1 0 62164 1 0 63165 1 0 63166 1 0 63167 1 0 M END