HMDB0267186 RDKit 3D PA(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/a-21:0) 135134 0 0 0 0 0 0 0 0999 V2000 -20.3700 1.2454 -2.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.0166 1.9739 -2.9009 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4349 1.9395 -4.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2916 1.3968 -4.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3985 0.7116 -3.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2854 -0.6871 -4.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1626 -1.2516 -4.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8501 -0.5878 -4.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0458 -1.3441 -3.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5222 -0.8507 -2.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6744 0.5047 -1.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5450 1.3654 -1.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2787 1.1653 -1.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6636 -0.0586 -2.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3260 -0.1204 -2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3819 0.9279 -1.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7365 1.8043 -0.8828 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0600 0.3225 -1.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1583 1.4646 -1.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7604 1.7447 0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1252 0.9990 1.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9895 0.5441 2.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0124 -0.3050 1.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3276 -1.2948 0.8749 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6921 0.0629 1.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5361 -0.5337 1.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3692 -1.9285 1.9287 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4747 -1.5242 3.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5499 -0.5530 3.5385 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7014 0.1162 5.0447 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7542 1.2303 4.9391 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1979 -0.9957 6.1968 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7518 0.8654 5.5375 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8282 -2.4397 1.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2876 -3.4697 0.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4675 -4.2140 0.3164 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7804 -3.7622 0.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4926 -2.9769 1.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4794 -1.5020 1.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1143 -0.8209 2.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4943 -1.1726 3.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5601 -0.7979 2.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8390 -1.3171 2.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1030 -1.0399 2.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0521 -1.5882 0.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2326 -1.4914 -0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8084 -0.2392 -0.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1931 0.7203 0.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9556 1.9482 -0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2616 1.5880 -0.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1551 0.8008 0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4467 0.4845 -0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3036 1.6239 -0.8741 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5532 0.9981 -1.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9080 2.4292 0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9908 3.1076 1.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.9131 1.5976 -3.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.2312 0.1573 -2.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.9063 1.5499 -2.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.3355 3.0367 -2.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4810 1.5477 -2.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9966 2.4133 -5.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9453 1.4271 -5.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9026 0.7964 -2.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4575 1.2580 -3.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2622 -1.2501 -4.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1859 -2.3123 -4.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8273 0.4814 -4.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3606 -0.8393 -5.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8841 -2.4159 -3.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9910 -1.6104 -1.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2289 0.5631 -0.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4127 1.0350 -2.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7536 2.4576 -1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6019 2.0391 -1.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2086 -0.9739 -2.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9506 -1.1085 -2.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1779 1.5200 -2.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8802 1.2793 -0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2334 -0.3914 -0.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6230 -0.2266 -2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7913 2.1152 -1.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0864 2.6064 0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7834 0.1127 1.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7015 1.7463 1.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5139 1.4008 2.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3795 -0.0988 3.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3294 0.0821 1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5831 -0.7022 0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 -2.4546 1.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4565 -1.1037 3.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -2.4043 4.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3785 -1.8690 5.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5091 0.2199 5.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8588 -4.8494 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1503 -3.4558 -0.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0578 -3.3105 2.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5696 -3.3467 1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0402 -1.1613 0.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4798 -1.0763 1.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4949 -0.9797 3.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0531 0.2903 2.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6214 -2.2582 3.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8099 -0.6373 4.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6412 0.2960 2.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3596 -1.2392 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6859 -2.4315 2.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8615 -0.8951 3.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9068 -1.6052 2.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3914 -0.0034 2.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8127 -2.6973 0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1031 -1.2148 0.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0288 -2.1413 -1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0597 -2.1234 0.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6788 -0.4076 -1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0454 0.2466 -1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5804 0.3290 1.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 1.2314 0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 2.5640 0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3343 2.5704 -0.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1259 1.0006 -1.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7745 2.5330 -0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6632 -0.2206 0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2398 1.2101 1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0849 -0.1923 0.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2146 -0.1304 -1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8870 2.3185 -1.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2600 0.4051 -2.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1331 0.4378 -0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2223 1.8101 -1.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5965 1.7153 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5377 3.2394 -0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9606 2.5313 2.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4373 4.1100 1.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0071 3.3958 0.7946 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 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 27 34 1 0 34 35 1 0 35 36 2 0 35 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 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 26 88 1 0 26 89 1 0 27 90 1 6 28 91 1 0 28 92 1 0 32 93 1 0 33 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 54128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 56135 1 0 M END