HMDB0007235 RDKit 3D DG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) 120119 0 0 0 0 0 0 0 0999 V2000 17.9097 -1.3709 -0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6380 -2.4947 -1.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6184 -3.4304 -0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2046 -3.1617 -0.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5613 -2.1214 0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6455 -0.7204 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5462 -0.0184 -0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1927 -0.5973 -0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4331 0.1627 0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3708 0.8564 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7752 0.9699 -1.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8222 2.3641 -1.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7378 3.0405 -1.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3342 2.5642 -1.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6933 3.4905 -0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1394 3.0526 0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 1.6980 0.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7359 1.0574 1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5463 1.5184 0.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1737 2.8041 0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2957 2.7626 -1.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9961 2.1781 -0.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0266 2.4423 -1.4883 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6566 1.3834 0.3807 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7093 0.9120 0.5878 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7746 -0.5471 0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3154 -0.7289 -1.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 1.3911 1.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3176 1.1664 2.4452 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0008 0.0566 2.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4454 -1.0556 2.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3861 0.1465 3.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4549 0.0303 2.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2992 -1.2906 1.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1129 -1.7149 0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5831 -1.7476 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2433 -0.4352 0.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8003 -0.5477 0.7411 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3545 0.7907 0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2115 1.3841 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9448 0.9994 -1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0417 -0.3443 -1.6311 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7811 -1.3818 -0.8145 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2276 -0.9109 -0.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9235 -1.9870 0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3270 -1.5807 0.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1006 -1.3516 -0.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1405 -2.6147 -1.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3272 -1.4175 0.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8388 -0.3823 -0.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9934 -1.4111 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4376 -2.0940 -2.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6267 -3.0382 -1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6797 -4.3577 -1.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0413 -3.9391 0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7439 -4.1835 -0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7672 -3.0964 -1.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1204 -2.1780 1.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5415 -2.4356 0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5837 -0.1358 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6608 1.0580 -0.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1426 -1.6463 -0.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7529 -0.4613 -1.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8602 0.0801 1.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8959 1.3769 1.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1212 0.2423 -1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6881 0.6989 -0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7820 2.9005 -1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8192 4.1006 -2.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8628 2.8633 -2.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1575 1.5406 -1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7077 4.5872 -0.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7565 3.8595 1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7132 0.9722 0.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5471 1.6907 1.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 -0.0119 1.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7097 0.7976 1.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4257 3.2507 1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8884 3.5948 0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8289 2.2098 -1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 3.8144 -1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3116 1.4094 -0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8726 -0.8101 0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -1.2200 1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0456 -0.5946 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9574 2.5357 1.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2789 1.1260 2.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5339 1.0633 3.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5751 -0.7427 4.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3951 0.1356 2.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3950 0.8924 1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2085 -1.3228 1.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2619 -2.1158 2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7602 -2.7818 0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8172 -1.1793 -0.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9243 -2.1990 -0.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9804 -2.5030 1.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1277 0.1162 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8888 0.2712 1.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1224 -1.1996 -0.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9618 -1.1195 1.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9727 1.4184 1.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4529 2.4911 0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7378 1.7576 -1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0552 1.3102 -0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1120 -0.7849 -2.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6908 -0.2897 -2.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7785 -2.3416 -1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3554 -1.4983 0.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7122 -0.6641 -1.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1722 -0.0188 0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9038 -2.9599 -0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3121 -2.1379 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8695 -2.3393 1.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2926 -0.6049 1.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7018 -0.5062 -1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1464 -1.0430 -0.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1648 -2.7539 -2.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4143 -2.5224 -2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9247 -3.5147 -1.0009 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 25 82 1 6 26 83 1 0 26 84 1 0 27 85 1 0 28 86 1 0 28 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 48120 1 0 M END