HMDB0007147 RDKit 3D DG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0) 116115 0 0 0 0 0 0 0 0999 V2000 13.6885 -1.7848 -1.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3990 -2.6215 -0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7674 -1.8855 1.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0221 -0.5929 1.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5095 -0.8257 1.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8815 0.4742 1.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0264 1.0138 0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5701 0.3754 -0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9272 1.2553 -1.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0569 1.7767 -2.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6034 1.5506 -2.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0097 2.9024 -2.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3202 3.1473 -1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9905 2.2434 0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4915 2.1997 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7624 1.1218 -0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2612 -0.2284 -0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 -0.8211 -1.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3261 -0.9473 -1.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6041 -1.8000 -0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1046 -1.8376 -1.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4597 -0.5084 -1.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 0.4614 -0.5866 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7783 -0.2511 -1.4502 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2951 1.0595 -1.3353 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4815 1.5212 -2.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3926 0.5801 -3.3351 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6358 1.0848 -0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8289 0.5326 0.5177 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7522 -0.7925 0.8707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4746 -1.5962 -0.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9645 -1.3370 2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4356 -1.2956 2.6582 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8490 0.1308 2.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2935 0.3699 3.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4954 1.8595 3.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2452 2.6065 1.8908 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0832 2.3813 0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1174 1.0500 0.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2075 0.3465 -0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5668 0.7787 0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4809 0.8280 -0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6289 -0.4850 -1.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2107 -1.5292 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3507 -2.8446 -1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9369 -3.9167 -0.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9834 -0.9204 -1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7198 -1.3904 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6200 -2.4338 -2.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3580 -2.9927 -0.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0743 -3.5167 -0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6734 -2.5290 1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8611 -1.6339 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3258 -0.1512 2.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 0.0788 0.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2607 -1.3814 0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2772 -1.4612 2.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1386 1.0778 2.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6048 2.0083 0.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5002 0.1389 -0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0817 -0.6170 -0.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0237 1.4656 -1.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4435 2.4237 -3.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3703 0.8076 -1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2607 1.2298 -3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1781 3.6503 -2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9128 4.1708 -1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2831 2.7848 0.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4733 1.2906 0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9344 3.1361 0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6654 1.2332 -0.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3656 -0.2853 -0.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9628 -0.8574 0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2956 -1.7985 -1.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1656 -0.1409 -2.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1885 -1.4718 -2.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8783 0.0478 -1.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7757 -1.3741 0.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9285 -2.8383 -0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0237 -2.2595 -2.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4104 -2.5648 -0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5517 1.7685 -0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5394 1.5247 -3.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0024 2.4988 -2.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9756 0.0932 -4.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9347 2.1838 -0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4198 0.7206 -1.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6932 -2.4125 2.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3205 -0.8708 2.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4389 -1.6917 3.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0479 -1.9509 2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7339 0.5838 1.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2345 0.6333 3.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3956 -0.0661 4.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9993 -0.1038 2.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7937 2.2402 3.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5588 2.0563 3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3700 3.7208 2.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1382 2.5911 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6901 3.0619 -0.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0827 2.8603 0.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1555 0.6101 -0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0953 -0.6590 -0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6015 1.7183 0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9985 0.0180 1.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0782 1.5748 -1.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5025 1.1395 -0.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6220 -0.8088 -1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3144 -0.3680 -2.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4870 -1.7401 0.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1875 -1.2014 -0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3672 -3.1498 -1.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0398 -2.6827 -2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9539 -4.8675 -1.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9808 -3.6916 -0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3638 -4.0091 0.4238 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 1 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 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 16 71 1 0 17 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 19 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 1 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 46116 1 0 M END