HMDB0115408 RDKit 3D PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) 123122 0 0 0 0 0 0 0 0999 V2000 -7.5584 -2.7724 -1.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6735 -2.6912 -0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0021 -3.1059 0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7948 -2.2926 1.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4862 -0.8951 1.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5521 -0.6933 2.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3548 0.1488 3.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3122 1.0376 2.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0087 2.4073 3.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6864 3.4150 2.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5022 3.5883 0.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6731 2.5292 0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7073 2.0990 -0.7566 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3249 2.6289 -0.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4344 1.5251 -0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6488 1.6308 0.6704 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5015 2.7391 1.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2631 3.4482 1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1112 3.2498 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8567 2.2027 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8353 1.1779 0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7848 0.1489 -0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5572 0.1711 -1.3777 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -0.8970 -0.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8497 -1.9047 -1.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7739 -2.9171 -1.1193 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7939 -3.5728 0.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5942 -2.6868 1.2646 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6127 -3.3888 2.7798 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2040 -2.4681 3.8281 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8949 -3.9318 3.2797 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6544 -4.7410 2.6985 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5399 -2.3114 -1.2509 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3938 -2.7786 -2.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9371 -3.7448 -2.9424 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7389 -2.3280 -2.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1246 -1.0621 -1.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5035 -0.6465 -2.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0543 0.5804 -1.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 0.6354 -0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1805 -0.3494 0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5885 -0.3910 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2772 0.8870 0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8234 1.5504 -0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8064 1.0819 -2.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0854 0.8907 -3.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1014 -0.0271 -2.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7145 0.3324 -1.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7147 -0.7162 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4546 -0.6654 0.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2953 0.5149 0.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5607 1.7912 0.7249 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5180 -3.0163 -1.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1889 -3.5940 -2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9239 -1.8347 -2.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2395 -1.7937 0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9662 -3.5265 0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3675 -4.1426 0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7834 -2.6909 1.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4495 -0.6615 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1153 -0.1802 0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8861 -1.2890 3.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3700 0.2627 4.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4865 0.8213 1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3232 0.8074 3.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0842 2.5391 4.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5113 4.3664 3.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5121 4.1032 0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2301 4.4330 0.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6482 2.0162 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8967 1.2754 -1.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1495 3.5990 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1447 2.7481 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4450 0.6275 -0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0406 0.7111 0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9462 2.4096 2.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2698 3.5194 1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3393 4.3002 2.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2986 3.9518 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1839 2.7895 -0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6169 1.8694 -0.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0525 0.7716 1.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8326 1.6378 0.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6682 -1.4352 -2.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8184 -2.4301 -1.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8813 -3.7036 -1.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8351 -3.9845 0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1213 -4.4377 0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -3.2481 3.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6246 -5.1819 3.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8608 -2.0612 -3.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5234 -3.1048 -2.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 -0.2387 -1.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1574 -1.2570 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1429 -1.5508 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4192 -0.4667 -3.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9242 0.9247 -2.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2818 1.4033 -1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2564 0.4753 0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5054 1.6951 0.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1731 -0.1442 1.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7067 -1.3567 0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1197 -1.1253 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5822 -0.8837 -1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3574 1.3376 1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3055 2.5110 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2498 1.8871 -2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1277 0.1932 -2.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6111 1.8836 -3.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8421 0.5495 -4.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8176 -1.0995 -2.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9771 0.0051 -3.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9719 0.5121 -0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2714 1.3092 -1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2663 -1.7546 -0.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4511 -0.7240 -1.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0916 -1.6248 0.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7351 -0.8669 1.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1283 0.5661 -0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8766 0.3532 1.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8155 2.4531 -0.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9396 2.3741 1.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4781 1.7437 0.8913 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 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 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 2 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 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 18 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 25 84 1 0 25 85 1 0 26 86 1 6 27 87 1 0 27 88 1 0 31 89 1 0 32 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 44106 1 0 45107 1 0 45108 1 0 46109 1 0 46110 1 0 47111 1 0 47112 1 0 48113 1 0 48114 1 0 49115 1 0 49116 1 0 50117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 52122 1 0 52123 1 0 M END