HMDB0300420 RDKit 3D DG(i-22:0/0:0/20:4(5Z,8Z,11Z,13E)-OH(15S)) 131130 0 0 0 0 0 0 0 0999 V2000 -6.3995 -2.1717 -3.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0786 -0.8792 -3.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0601 0.2274 -3.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2913 0.4760 -2.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1552 0.8815 -1.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2686 1.0961 -0.2548 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1116 1.4745 0.7922 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6136 -0.1878 0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3464 -0.4713 -0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8392 -1.7386 0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6321 -2.1647 0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6319 -1.3460 -0.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 -1.1461 0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7063 -1.5285 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1063 -2.2072 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6422 -3.5401 -0.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1084 -4.6488 -1.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9802 -4.7953 -2.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3846 -5.5283 -3.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1812 -5.6046 -4.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2764 -4.2218 -4.8201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2613 -3.7619 -4.2083 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3475 -3.4652 -5.7792 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0998 -2.1312 -6.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8274 -1.5350 -7.1278 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7275 -2.2878 -8.2908 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2772 -1.7077 -6.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5513 -1.0745 -5.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4751 0.2838 -5.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 1.0361 -6.1284 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7943 0.8045 -3.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7579 2.2821 -3.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1084 2.5260 -2.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1626 3.9470 -1.8143 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5317 3.9641 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5004 3.3016 0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1536 4.0109 0.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1855 3.2232 1.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1441 3.8890 1.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0379 3.0068 2.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4505 2.6528 3.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4426 1.7926 4.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8334 1.3312 5.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4195 2.4411 6.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7999 1.8859 7.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4173 1.0523 7.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5303 1.7875 7.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0591 2.9351 7.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1704 3.6473 7.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7174 4.7980 7.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3070 2.6999 6.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4819 -2.3289 -3.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1392 -2.9921 -3.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0633 -2.1028 -2.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6009 -1.0685 -4.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8273 -0.6256 -2.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6047 1.1548 -4.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3321 -0.0757 -4.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5627 1.3050 -2.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7054 -0.4071 -2.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7077 1.8047 -1.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8757 0.0763 -1.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5391 1.8609 -0.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4817 2.3769 0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2316 -0.8774 0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8371 0.2530 -0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4751 -2.4320 0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3459 -3.1473 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1229 -0.4173 -1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4427 -1.9177 -1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2714 -0.6473 1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4863 -1.3356 0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3890 -2.3479 -2.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0263 -1.6417 -1.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4944 -3.6146 -0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5824 -5.5892 -0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1789 -5.4585 -1.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -3.9085 -2.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2572 -5.0840 -4.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6345 -6.5696 -3.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -6.1230 -3.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3732 -6.1847 -5.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2419 -1.5145 -5.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0876 -2.2778 -6.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5462 -0.5096 -7.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -3.2021 -8.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 -2.8032 -6.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9123 -1.4466 -7.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8591 0.4870 -3.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2134 0.3041 -3.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8275 2.7681 -3.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5883 2.7891 -4.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0701 2.0084 -2.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3308 1.9531 -1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2121 4.4685 -1.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 4.4319 -2.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 4.9933 0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4856 3.3815 -0.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3427 2.2507 0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8493 3.2685 1.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2746 5.0008 0.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7825 4.1470 -0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6459 3.2095 2.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1282 2.1912 1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0554 4.8636 2.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6378 4.1289 0.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2623 2.0578 1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0358 3.5152 2.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2105 3.5904 4.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4881 2.0919 3.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3301 2.4302 4.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8066 0.9726 3.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0535 0.5482 5.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6398 0.7573 6.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8048 3.2158 6.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 2.9830 7.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6018 2.6496 8.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5811 1.2064 8.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8206 0.7662 8.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1397 0.1559 7.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2277 2.0925 5.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3679 1.0496 6.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3053 3.6651 8.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4936 2.5018 8.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7532 4.0816 6.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7616 4.9876 7.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 4.5057 8.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0909 5.7024 7.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2416 2.2796 5.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2802 1.8738 7.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3068 3.1985 6.9144 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 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 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 6 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 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 0 24 84 1 0 25 85 1 6 26 86 1 0 27 87 1 0 27 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 50126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 51131 1 0 M END