HMDB0267793 RDKit 3D PA(i-16:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)) 116115 0 0 0 0 0 0 0 0999 V2000 11.5731 -0.9516 -3.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2444 -1.2038 -1.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3956 -0.6713 -1.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3244 0.2759 -0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0663 0.9580 0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1863 2.4094 -0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1130 3.2975 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9092 3.0892 2.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7351 3.7941 2.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6929 3.3625 3.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2868 2.0311 3.8307 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1022 0.8663 3.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7173 -0.1625 2.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4015 -0.2711 2.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0913 -1.3411 1.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9006 -1.6914 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0831 -3.0293 0.3362 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4302 -0.8884 -0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0669 0.5195 -0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 0.7024 0.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6971 0.0503 0.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4962 -1.1461 0.8619 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7021 0.7448 -0.0203 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4496 0.1588 -0.3966 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3266 -0.0226 -1.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8482 -0.5777 -2.2884 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1218 -0.1253 -2.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3673 1.0529 -2.0787 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2335 -1.0123 -2.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5433 -0.3253 -2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0124 -0.0164 -1.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2229 -1.1775 -0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1287 -2.2678 -0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5819 -2.0562 -1.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8973 -1.2822 -2.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3917 -1.1008 -2.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0747 -0.3376 -1.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5489 -0.2285 -1.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3038 0.5486 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2334 -0.0353 0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7753 -1.4105 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2193 -1.5607 0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5541 -1.7996 2.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6849 0.7026 0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8948 2.0694 0.2762 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2448 2.5377 1.1913 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.8500 3.5416 2.2477 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4354 3.1565 0.1398 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9355 1.1976 1.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6921 -1.0033 -3.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3564 -1.6715 -3.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0524 0.0608 -3.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2884 -0.7063 -1.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1350 -2.3125 -1.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4090 -1.0771 -1.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2235 0.6226 0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8302 0.7674 1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1803 0.5704 -0.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3385 2.7046 -1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2130 4.3655 0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8310 3.6138 2.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9870 2.0883 2.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7519 4.9206 2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 4.1928 3.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1325 2.0892 4.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1924 1.8453 3.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0915 0.8494 4.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4356 -0.9788 2.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6489 0.4909 2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9190 -2.0970 1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0201 -1.8373 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4031 -3.6050 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1495 -0.9194 -1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4898 -1.3953 -0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9336 1.1216 0.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7187 1.0371 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3171 0.3393 1.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8566 1.8115 1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5731 -0.9176 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1877 -0.6413 -2.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4516 0.9487 -2.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 -1.3056 -3.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2027 -1.9847 -2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2812 -0.9143 -3.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5272 0.6731 -3.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1118 0.5324 -0.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8250 0.7112 -1.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2169 -1.6425 -0.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5805 -0.7344 0.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0246 -3.0559 -0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7000 -2.8580 -1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0406 -1.4687 -0.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1357 -3.0368 -1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4383 -0.2944 -2.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5553 -1.8389 -3.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8995 -2.0645 -2.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4817 -0.5694 -3.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5957 0.6700 -1.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9057 -0.7664 -0.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9849 -1.2220 -1.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6146 0.3512 -2.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3136 0.7376 -1.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7925 1.5559 -0.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2013 -0.0056 1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8282 0.6470 1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1414 -2.1351 0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7096 -0.6434 0.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8151 -1.9223 1.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3280 -2.3972 -0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2341 -2.5856 2.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5158 -2.1498 2.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6778 -0.9261 2.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4268 0.5397 1.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5925 0.1115 0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2918 3.1921 0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6102 1.1484 2.9039 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 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 2 0 15 16 1 0 16 17 1 0 16 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 26 27 1 0 27 28 2 0 27 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 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 24 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 11 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 0 18 73 1 0 18 74 1 0 19 75 1 0 19 76 1 0 20 77 1 0 20 78 1 0 24 79 1 1 25 80 1 0 25 81 1 0 29 82 1 0 29 83 1 0 30 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 42107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 48115 1 0 49116 1 0 M END