HMDB0298040 RDKit 3D DG(a-21:0/0:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)) 129128 0 0 0 0 0 0 0 0999 V2000 19.0829 1.2180 -0.8046 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4150 0.2482 -1.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2285 -0.4559 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7671 -1.1824 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7875 -1.9602 0.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6492 -1.2047 1.4676 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8884 -2.1426 2.2086 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7395 -0.7252 0.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0118 0.3927 0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1433 0.8221 -0.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4059 1.9080 -0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3663 2.8340 0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1765 3.1068 1.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9856 2.6066 1.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6077 1.5642 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3390 1.1555 0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9008 0.0841 -0.4993 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9758 0.4195 -1.8351 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4526 -0.2706 -0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4095 -0.7242 1.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0551 -1.1191 1.7803 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0175 -0.0925 1.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0821 0.9088 0.9907 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9029 -0.2665 2.5612 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8692 0.6988 2.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1631 0.5874 1.1737 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1854 1.5982 1.1416 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4695 -0.7726 1.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3499 -0.8988 0.0626 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1194 -2.0817 -0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0005 -2.9283 0.8248 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9913 -2.3047 -1.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7728 -1.1088 -1.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 -1.2866 -2.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7180 -2.2721 -2.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8401 -2.1571 -1.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6520 -0.9169 -1.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8025 -1.0578 -0.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6836 0.1423 -1.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8412 0.0333 -0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6796 -1.1493 -0.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9085 -1.3430 0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8810 -0.1599 0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3025 0.0904 -1.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1892 1.2225 -1.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5473 1.3193 -0.8343 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8323 1.3881 0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3717 1.5691 0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0797 0.4027 0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6728 1.6565 2.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.1492 1.8369 2.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3379 1.5296 -0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4582 2.0657 -1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9260 0.7331 -0.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1617 -0.4930 -2.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0346 0.8211 -2.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5391 0.3779 -0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8200 -1.1279 -1.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2889 -0.4429 0.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5195 -1.9219 -0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3915 -2.7874 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3648 -2.4527 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9276 -0.3921 2.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9308 -1.9922 2.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6638 -1.2954 -0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1233 0.9225 1.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0771 0.2175 -1.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8228 2.1171 -1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7696 3.8692 0.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1934 2.5656 1.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3402 3.9277 2.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2483 3.0246 1.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2640 1.1052 -0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6537 1.6020 1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 -0.8512 -0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1918 0.0833 -2.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8916 0.6550 -0.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1473 -1.0665 -0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7680 0.0765 1.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0997 -1.6092 1.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1791 -1.4966 2.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7278 -2.0577 1.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3339 1.7173 2.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1457 0.5510 3.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8325 0.7297 0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6656 2.4245 1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1392 -0.8252 2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2263 -1.5894 1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2909 -2.6209 -2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5918 -3.2050 -1.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3455 -0.7138 -0.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0077 -0.3102 -1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0859 -0.2918 -3.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9784 -1.5333 -3.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1890 -2.2082 -3.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 -3.3443 -2.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5036 -2.2210 -0.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5440 -3.0292 -1.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1722 -0.7867 -2.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1266 0.0049 -1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4013 -1.1779 0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3523 -1.9945 -1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0646 0.3597 -2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1062 1.0685 -0.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4335 0.9842 -0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4616 0.0060 0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9211 -1.1535 -1.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0885 -2.1144 -0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4638 -2.2068 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7391 -1.5737 1.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7662 -0.5669 0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5329 0.7101 0.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3733 0.2137 -1.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7993 -0.8503 -1.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1666 1.3267 -2.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6609 2.2006 -1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2339 0.5085 -1.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0132 2.2494 -1.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6533 0.4565 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3949 2.2391 1.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6643 2.4935 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4222 -0.5010 0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9993 0.1163 0.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4877 0.7233 -0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1215 2.4742 2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3912 0.6868 2.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.2470 2.1731 3.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.6297 2.5685 1.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.7161 0.8926 2.4429 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 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 46 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 1 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 16 74 1 0 17 75 1 6 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 25 83 1 0 25 84 1 0 26 85 1 6 27 86 1 0 28 87 1 0 28 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 49122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 51129 1 0 M END