HMDB0299700 RDKit 3D DG(i-18:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/0:0) 120119 0 0 0 0 0 0 0 0999 V2000 15.4851 -0.6276 1.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0548 -1.7845 0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2878 -3.0400 0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8881 -3.1449 0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5043 -2.9394 -1.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7181 -1.6048 -1.6955 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2534 -1.6918 -3.0533 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9743 -0.5247 -1.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6537 -0.4398 -1.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9028 0.6167 -0.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6127 0.7499 -0.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7999 -0.1761 -1.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1068 0.5081 -2.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8071 0.5637 -2.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9169 -0.0544 -1.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6117 0.0425 -1.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6228 -0.5857 -1.0319 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9099 -1.9259 -0.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7842 0.1405 0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5134 1.6155 0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1485 1.9650 -0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0459 1.5466 0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2047 0.9153 1.6503 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2279 1.8746 0.1972 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 1.5871 0.9036 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0190 2.9247 1.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3111 3.6849 0.1548 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3107 0.7634 0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5514 0.4254 0.6364 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7308 -0.2665 1.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 -0.6493 2.3927 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0447 -0.5855 2.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6587 0.5584 3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9442 1.7662 2.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4765 2.8711 3.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7951 4.0768 2.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9011 3.7687 1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1655 3.3871 2.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3708 3.1062 1.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5125 1.9927 0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6587 1.8381 -0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1996 0.6367 -1.6788 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1520 -0.6450 -0.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6999 -1.8013 -1.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6200 -3.0943 -0.9466 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1778 -4.2533 -1.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0799 -5.5158 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6463 -4.0062 -2.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4083 -0.7304 1.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5645 0.2823 0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0490 -0.3940 2.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0502 -2.0134 1.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4248 -1.5507 -0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4801 -3.4881 1.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8616 -3.7999 0.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5718 -4.2237 0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1932 -2.5700 0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4295 -3.2473 -1.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0634 -3.6728 -1.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7626 -1.2720 -1.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4305 -2.2638 -3.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4340 0.2165 -0.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1959 -1.1703 -1.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4310 1.3674 0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0663 1.5678 -0.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3487 -1.0474 -1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0608 -0.6261 -0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7557 1.0026 -3.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 1.1083 -3.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2373 -0.5911 -0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2559 0.5803 -2.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6158 -0.4807 -1.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6973 -1.9628 -0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1171 -0.2829 1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8196 -0.0110 0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2224 1.9737 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8252 2.1663 1.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9615 1.5314 -1.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 3.0703 -0.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0716 1.0385 1.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2736 3.5436 1.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 2.8165 1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2345 4.6509 0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5285 1.3211 -0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7464 -0.1423 -0.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7591 -0.8186 1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9817 -1.4845 2.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6192 0.2106 3.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9976 0.8223 3.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7254 1.4700 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1086 2.1495 1.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2872 2.5106 3.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6410 3.2068 3.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1046 4.8878 3.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8714 4.3684 1.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5932 3.0234 0.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0656 4.7535 0.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4045 4.2749 2.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9741 2.5729 2.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6599 4.0844 0.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2534 3.0262 1.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5949 1.9839 -0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4683 1.0154 0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6407 2.6999 -1.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6013 1.5643 -0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6018 0.5053 -2.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2373 0.8399 -2.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1482 -0.8787 -0.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8431 -0.6056 -0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7248 -1.6114 -2.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0495 -1.9112 -2.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5876 -3.3091 -0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2406 -2.9650 -0.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6173 -4.3579 -2.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0414 -5.2914 0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8916 -6.2225 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0953 -6.0069 -1.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8033 -3.7849 -3.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2786 -4.8577 -1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9827 -3.1306 -1.4547 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 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 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 46 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 6 7 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 16 71 1 0 17 72 1 6 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 21 78 1 0 21 79 1 0 25 80 1 1 26 81 1 0 26 82 1 0 27 83 1 0 28 84 1 0 28 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 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 47115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 48120 1 0 M END