HMDB0284722 RDKit 3D PE(DiMe(11,3)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)) 134134 0 0 0 0 0 0 0 0999 V2000 -0.9845 4.1942 4.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3076 3.8658 5.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4534 4.6557 4.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 6.1185 4.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3089 6.9936 4.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5868 6.8765 2.6554 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4360 7.1494 1.9439 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2073 5.5962 2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2915 5.2077 0.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9024 3.9416 0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0200 3.5293 -0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5642 4.2844 -1.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5675 3.9041 -2.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8143 2.8704 -2.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8704 1.7797 -1.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0745 0.7665 -2.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9862 -0.4533 -1.2766 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9406 -1.3450 -1.7383 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6239 -1.1079 -1.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5179 -0.1599 -1.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 0.1870 0.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -0.9968 1.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6296 -1.8279 0.8974 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 -1.3138 2.4242 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5882 -2.4209 3.1957 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5855 -3.4672 3.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0489 -4.1147 2.3495 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8024 -3.6357 1.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1674 -2.4226 1.4005 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2328 -4.4099 0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1893 -5.5054 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 -4.8403 -0.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2433 -5.8373 -0.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5692 -5.0702 -0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4865 -4.0209 -1.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2265 -4.4574 -3.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1199 -3.1541 -4.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8993 -3.3769 -5.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7575 -1.9907 -6.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9401 -1.1397 -5.8582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9967 -0.1412 -5.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1921 0.4392 -5.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 1.6090 -4.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4983 2.8920 -4.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4249 3.0333 -6.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9620 -0.2267 -5.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3955 -0.0059 -6.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1759 -1.2332 -6.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6488 -2.1918 -7.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0486 -1.9657 4.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2092 -1.2243 4.2362 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9475 -0.6935 5.6579 P 0 0 0 0 0 5 0 0 0 0 0 0 1.1910 -1.2275 6.8618 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 1.0000 5.7116 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5313 -1.2277 5.7582 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2259 -0.8941 4.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6615 -1.3655 4.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3868 -0.7831 5.7617 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0087 3.9690 3.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6594 5.2287 4.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 3.4645 5.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3315 4.1796 6.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5153 2.7930 5.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4212 4.4456 3.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3967 4.3261 4.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2367 6.4273 4.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 6.3783 5.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2624 6.8177 4.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9681 8.0530 4.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2945 7.7353 2.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6663 7.4184 2.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6446 4.9210 3.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8668 5.9073 0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2723 3.3195 1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5236 2.5704 -0.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5159 4.5104 -2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3369 5.3798 -1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3967 4.6827 -3.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1056 2.8563 -3.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4830 1.7404 -1.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4073 0.7784 -2.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1647 -0.2409 -0.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7919 -0.9151 -2.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4646 -1.4594 -2.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5841 -1.9505 -0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4362 -0.7424 -1.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4801 0.6830 -1.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2979 0.8971 0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4914 0.6581 0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2705 -2.9418 2.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4444 -3.0777 4.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0609 -4.2317 4.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2235 -4.8883 0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1873 -3.7373 -0.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4544 -5.9930 -1.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -6.2114 0.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6135 -4.1927 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0103 -4.1656 -1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3823 -6.5244 0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0519 -6.4428 -1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3547 -5.8074 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -4.5744 0.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4962 -3.5077 -1.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7851 -3.2104 -1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1006 -4.9938 -3.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3541 -5.0930 -3.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3157 -2.5439 -3.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -2.5897 -3.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7269 -3.9090 -5.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0699 -3.9008 -5.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5587 -2.0952 -7.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1542 -1.4985 -5.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6392 1.4795 -3.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9623 1.5965 -3.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4315 3.1138 -5.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7439 3.7107 -4.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4047 4.1033 -6.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0744 2.4497 -6.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4705 2.8034 -5.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4903 0.5871 -7.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9253 -0.9937 -6.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8794 0.4911 -5.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4082 -2.8549 -7.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7907 -2.7567 -7.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 -1.6467 -8.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3505 -2.8667 5.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6657 -1.4013 5.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 1.3323 5.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4237 3.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1311 0.1795 4.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1744 -1.0358 3.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6545 -2.4588 4.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4046 -0.8447 5.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1481 0.2507 5.7432 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 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 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 42 46 2 0 46 47 1 0 46 48 1 0 48 49 1 0 25 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 48 40 2 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 6 7 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 1 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 6 26 91 1 0 26 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 45119 1 0 47120 1 0 47121 1 0 47122 1 0 49123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 54128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 58133 1 0 58134 1 0 M END