HMDB0287230 RDKit 3D PC(20:2(11Z,14Z)/18:3(9,11,15)-OH(13)) 139138 0 0 0 0 0 0 0 0999 V2000 3.8142 2.8918 -5.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7285 1.5737 -6.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 0.7898 -6.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6989 1.2634 -5.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4994 0.4968 -4.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6938 1.3482 -5.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 2.5598 -4.5349 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9953 0.6950 -4.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3124 -0.4774 -5.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6553 -1.0506 -5.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9684 -2.1955 -5.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2636 -2.8978 -5.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2218 -2.2454 -4.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8238 -2.3204 -3.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8333 -1.4985 -2.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6039 -1.6453 -1.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5605 -0.7259 -0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6349 -0.8463 1.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3923 -0.7155 1.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9827 -1.7946 2.4835 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5786 0.4270 1.9956 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4337 0.2386 2.8073 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4177 1.3993 3.8176 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0713 2.5197 3.0437 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9078 3.8087 3.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1031 4.1311 4.6108 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4706 4.8690 2.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0206 5.1396 2.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2756 6.0279 1.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1158 6.2319 2.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7756 4.9251 2.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2118 5.0618 3.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6598 3.6693 3.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0904 3.5989 4.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4195 2.1740 4.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8160 2.0903 5.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7224 1.2838 4.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6139 0.2575 3.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4070 0.0154 2.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -1.1112 2.8653 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0548 -2.2772 3.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2924 -3.5484 2.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1074 -3.9838 2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8947 -4.3042 2.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 -5.4142 3.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1661 0.4731 1.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0409 -0.3704 0.8995 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5991 0.0856 0.0967 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.0031 0.7504 -1.2231 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7978 1.3151 0.9710 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.5823 -1.2207 -0.1961 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7217 -0.8161 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7399 -1.8909 -0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7354 -2.3924 -1.5877 N 0 0 0 0 0 4 0 0 0 0 0 0 0.4149 -2.5441 -2.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 -3.6992 -1.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4926 -1.5334 -2.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6834 3.4752 -6.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8539 3.4502 -6.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9515 2.7817 -4.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6606 0.9881 -6.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6404 1.7509 -7.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3583 -0.1928 -6.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8737 2.2321 -4.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4176 -0.4763 -5.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 0.3636 -3.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6196 1.5775 -6.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3069 3.2040 -4.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 1.1733 -4.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6091 -0.9974 -6.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3614 -0.5148 -4.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 -2.6629 -6.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7573 -3.0667 -6.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0166 -3.9192 -5.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1874 -2.8291 -4.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4137 -1.2012 -5.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8764 -3.3972 -2.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8185 -1.9961 -3.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8798 -1.7711 -2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6178 -0.4149 -2.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5409 -1.3208 -0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7621 -2.6994 -0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5814 -0.9160 -0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2397 0.3193 -0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4337 -0.1260 1.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0938 -1.8589 1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4013 -0.7290 3.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6068 1.1164 4.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3618 1.4888 4.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1103 5.7482 2.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 4.4462 1.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9184 5.4353 3.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5478 4.1145 2.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 5.6615 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8033 7.0302 1.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1007 6.8585 3.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6717 6.8187 1.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8398 4.2955 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 4.4385 3.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8277 5.4262 2.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2512 5.6988 4.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 2.9977 2.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9644 3.2581 4.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7468 3.8766 3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1955 4.2645 4.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9854 1.4683 3.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8429 2.1251 5.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1178 2.8419 5.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7367 1.4356 5.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9707 -0.7241 4.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5084 0.3858 2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0147 0.7765 2.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7791 -1.2116 2.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7984 -2.1557 4.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0961 -2.5355 4.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7049 -4.3310 3.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1018 -3.2929 2.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8219 -3.2342 1.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -4.9401 1.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0958 -4.6667 2.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4772 -3.4596 3.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1053 -5.8119 4.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5466 -5.0180 4.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7205 -6.2455 3.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2955 0.2846 2.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0789 1.5190 1.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9393 0.1378 -0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7897 -0.5962 1.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7705 -1.5242 0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5405 -2.7301 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0111 -1.5643 -2.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5033 -3.1608 -3.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2322 -3.1292 -1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4822 -3.6070 -1.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9475 -4.3871 -0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2462 -4.1860 -2.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1018 -1.7351 -3.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3378 -0.4590 -2.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5732 -1.8129 -2.5097 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 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 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 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 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 22 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 22 87 1 1 23 88 1 0 23 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 55131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 57139 1 0 M CHG 2 50 -1 54 1 M END