HMDB0299498 RDKit 3D DG(i-17:0/0:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) 117116 0 0 0 0 0 0 0 0999 V2000 16.7721 0.8889 -0.8619 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3826 0.8345 -1.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4514 1.5015 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4152 0.9020 -0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0478 -0.5464 -0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0299 -1.2872 0.8653 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0586 -1.9384 1.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7214 -2.1105 0.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2876 -1.6148 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3459 -0.6995 -0.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5907 -0.0385 0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7769 1.4433 0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7747 2.2482 0.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3594 1.7685 0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5268 2.3326 1.1361 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0020 1.9322 2.4234 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0781 2.0667 1.1233 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3977 2.8712 2.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 2.0968 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6393 1.1148 -1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3951 -0.3032 -0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -0.4730 -0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1112 0.4033 -0.6979 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4518 -1.6226 0.1971 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -1.8587 0.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4201 -0.8730 1.4709 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2566 -0.9827 2.6762 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9119 -1.0451 1.7204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6237 -0.9508 0.4937 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6143 0.1709 -0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9584 1.1745 0.0599 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3498 0.2261 -1.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6764 -0.4716 -1.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 -0.4308 -2.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7421 -1.1280 -2.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6201 -2.5512 -2.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9514 -3.2494 -2.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7882 -2.5010 -1.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1021 -3.2503 -0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0597 -2.5950 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3171 -1.2127 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2784 -0.4149 0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4054 0.9345 -0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3228 1.8846 0.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8277 2.1333 1.8214 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4355 2.7164 1.7206 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7946 3.1323 2.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8581 0.1128 -0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8493 1.9125 -0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5790 0.8220 -1.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1658 -0.1661 -1.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5325 1.4695 -2.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6118 2.5822 -0.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7356 1.4416 0.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8300 -0.9809 -1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1580 -0.4778 -0.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0013 -1.2845 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2847 -2.4456 2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9765 -1.9191 1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5448 -3.2799 0.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7534 -2.0823 -1.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -0.4367 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0147 -0.3388 1.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5753 -0.3934 0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7966 1.8620 0.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 3.3385 0.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2669 0.7363 -0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1242 2.3573 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7294 3.4648 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1955 0.9625 2.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9110 0.9665 1.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9078 2.7981 2.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4935 3.1329 -0.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2355 2.1259 0.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 1.1985 -1.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7774 1.3020 -1.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6622 -0.9818 -1.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0614 -0.5065 0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4823 -1.8852 -0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0826 -2.8943 0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2024 0.1584 1.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2511 -1.6641 3.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0918 -2.0298 2.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2236 -0.2195 2.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7353 -0.2134 -2.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 1.2934 -1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2626 -0.0058 -0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4681 -1.5386 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6359 0.6393 -3.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8163 -0.8973 -3.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2714 -1.0175 -3.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2860 -0.5032 -1.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2165 -2.5234 -1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8834 -3.1284 -2.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7798 -4.3046 -1.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4786 -3.1412 -3.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9507 -1.4890 -1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3324 -2.4727 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8543 -4.2546 -0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5799 -3.3564 -1.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6054 -2.5814 1.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9877 -3.1910 0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7238 -1.2329 -1.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3451 -0.6499 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2922 -0.8837 0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9370 -0.3435 1.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7841 0.8351 -1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3745 1.3510 -0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3866 1.5740 0.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3185 2.9001 -0.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8110 1.1864 2.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6930 1.8875 1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2687 3.4961 2.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1993 3.0994 0.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8005 4.0000 1.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7903 2.6739 2.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4084 3.4067 3.4214 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 1 0 15 17 1 0 17 18 1 0 17 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 26 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 1 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 45 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 11 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 14 68 1 0 15 69 1 1 16 70 1 0 17 71 1 1 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 25 79 1 0 25 80 1 0 26 81 1 6 27 82 1 0 28 83 1 0 28 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 46112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 47117 1 0 M END