HMDB0289467 RDKit 3D PC(P-16:0/20:3(8Z,11Z,14Z)-2OH(5,6)) 137136 0 0 0 0 0 0 0 0999 V2000 0.7820 8.6623 -2.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4093 7.2809 -2.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8367 6.2987 -1.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6232 6.0557 -1.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0701 5.4909 -2.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5151 5.2943 -2.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1229 4.1713 -2.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6256 2.8390 -2.9579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2113 2.5261 -2.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5945 1.9935 -3.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2499 1.6248 -5.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0653 0.1598 -5.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0154 -0.7430 -5.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4314 -0.3621 -5.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1809 -0.8308 -4.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5147 -0.4166 -4.3227 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0319 -2.2264 -3.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6617 -2.5796 -3.8121 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3713 -2.3468 -2.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7607 -1.9750 -1.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8288 -2.0540 -0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8007 -1.0439 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0882 0.1544 -0.2144 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5932 -1.2989 0.6567 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7027 -0.2154 0.9310 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4254 -0.5195 0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8022 -1.6867 0.5887 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2496 -2.9555 0.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2492 -3.7565 -0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7612 -5.1168 -0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9204 -6.2564 -0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4176 -6.3876 -0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4028 -5.3168 -0.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7009 -5.6026 0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 -4.6462 -0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 -3.2080 0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5967 -2.3225 -0.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1248 -0.8764 -0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2214 0.0838 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 -0.0547 -2.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6044 0.2072 -3.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0590 1.5747 -3.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3473 2.1649 -2.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4774 0.0216 2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5896 1.1207 2.5011 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2955 1.4828 4.1222 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5372 1.1716 4.9558 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0334 3.1648 4.2939 O 0 0 0 0 0 1 0 0 0 0 0 0 0.0465 0.6374 4.6986 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 1.5532 5.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1529 0.8650 5.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7688 -0.1161 6.8491 N 0 0 0 0 0 4 0 0 0 0 0 0 1.3843 -1.3727 6.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9455 -0.4124 7.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7154 0.3470 7.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3159 8.6066 -1.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 9.1753 -1.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0429 9.3182 -2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4913 7.4340 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 6.9604 -3.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0282 6.7116 -0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4409 5.3712 -1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2426 6.9196 -1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 5.2490 -0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4066 4.7006 -2.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9276 6.3770 -3.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1294 6.2472 -2.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2713 4.2323 -2.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 2.2618 -3.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0313 2.1932 -2.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5953 2.7037 -2.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4901 1.7956 -3.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2414 2.0092 -5.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 2.0690 -6.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0334 -0.2374 -5.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7519 -1.8149 -5.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 0.7009 -5.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9138 -0.9032 -6.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7188 -0.1875 -3.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6386 0.3774 -4.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6079 -2.9321 -4.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 -3.5553 -3.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2030 -3.4066 -2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6367 -1.7398 -1.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0963 -0.9682 -2.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4875 -2.7088 -2.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5714 -3.0749 -0.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8243 -1.7382 -0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 0.7040 0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7653 0.3625 0.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -0.5587 -0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6316 -3.3399 1.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8679 -3.4079 -1.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0397 -5.2602 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7745 -5.2128 -0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5218 -7.1942 -0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8712 -6.2883 -1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8966 -7.3577 -0.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3022 -6.4265 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0951 -4.2956 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5411 -5.4335 -1.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4736 -5.4969 1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0056 -6.6481 0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8984 -4.7933 -1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7027 -4.8672 0.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5056 -2.9004 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2703 -2.9636 1.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4322 -2.4971 0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8231 -2.5119 -1.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1574 -0.7113 -0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0241 -0.7593 0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9656 1.1001 -0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1118 -0.2013 -0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4607 0.6675 -2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0707 -1.0656 -2.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7396 -0.5084 -3.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1006 -0.0433 -4.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8464 2.2737 -3.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3095 1.5450 -4.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8603 1.4752 -1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4973 2.8466 -2.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0381 2.9001 -1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9989 -0.8182 2.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3855 0.2954 2.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2651 2.2097 4.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4406 2.1850 6.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7749 1.6265 6.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7546 0.3736 5.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2926 -1.5720 6.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6005 -1.3147 5.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9519 -2.2278 6.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9115 0.1891 8.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8617 -0.2130 7.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9429 -1.4838 7.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7473 -0.1387 8.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7706 1.4396 7.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2612 0.0594 7.2143 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 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 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 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 25 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 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 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 6 26 90 1 0 26 91 1 0 28 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 53129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 55137 1 0 M CHG 2 48 -1 52 1 M END