HMDB0264763 RDKit 3D PA(20:3(8Z,11Z,14Z)-2OH(5,6)/20:1(11Z)) 131130 0 0 0 0 0 0 0 0999 V2000 18.0034 2.0284 -1.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8327 0.5309 -1.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7704 0.1427 -0.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4364 0.8187 -1.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4675 0.3350 -0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1138 0.8530 -0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0448 0.1256 -0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0592 -1.3091 -0.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3993 -2.1835 0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7228 -1.9517 1.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4415 -0.6815 1.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0406 -0.3132 2.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0063 -0.9823 1.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9073 -2.2484 0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -3.3830 1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3131 -4.4864 0.8168 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8925 -3.1872 2.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4938 -4.3735 2.8313 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8675 -2.9975 1.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5275 -2.8798 1.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3532 -2.7035 0.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4305 -1.3985 0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3661 -0.5993 0.3984 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4913 -1.0514 -0.7549 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3353 0.0975 -1.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8424 1.2939 -0.7306 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7277 1.8644 0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.0875 0.7884 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1253 3.7729 1.9830 P 0 0 0 0 0 5 0 0 0 0 0 0 2.8267 2.7363 2.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1047 4.6911 2.9929 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3226 4.7685 1.2867 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4022 0.9489 -0.1748 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6285 1.4884 -0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7394 2.4247 -1.2112 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7765 0.8790 0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3933 -0.1783 -0.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9860 0.3720 -1.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1576 1.3180 -1.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2008 0.5838 -0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3793 1.4577 -0.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0469 1.9613 -1.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2663 2.7865 -1.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2765 1.9536 -0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5963 0.7501 -1.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8010 0.4392 -1.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9907 1.2152 -1.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9808 0.3789 -0.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3289 -0.8453 -1.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2275 -1.8524 -0.7977 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6226 -1.5452 -0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9079 -0.5000 0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2904 -0.7478 1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6902 0.4339 2.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0805 2.3036 -1.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5855 2.4106 -0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5175 2.4795 -2.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4868 0.1566 -2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7670 -0.0005 -1.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5796 -0.9476 -0.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0189 0.4538 0.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5881 1.8967 -1.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1000 0.5927 -2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8805 0.8174 0.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6186 -0.7194 -0.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9360 1.9499 -0.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0373 0.6123 -0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6509 -1.6195 -1.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1383 -1.6527 -0.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4816 -3.3006 0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3347 -2.8450 1.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0830 0.1830 1.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8031 -0.7983 3.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8159 0.6863 2.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0100 -0.5027 1.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7009 -2.6179 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0952 -2.0169 0.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9006 -3.6723 2.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0834 -5.3144 1.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8107 -2.3577 2.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 -4.1933 3.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0918 -2.1596 0.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9051 -3.9358 0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4656 -3.7748 2.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5912 -2.0136 2.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4414 -2.7462 1.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3037 -3.5583 0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 0.3911 -2.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5435 -0.0898 -2.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 2.1496 -1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 1.2026 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7549 2.0543 0.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6352 4.9541 3.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6242 5.4712 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3666 0.3642 1.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5038 1.6202 0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0297 -0.8619 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5133 -0.8075 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2243 0.9948 -2.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2959 -0.4378 -2.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7964 2.2412 -1.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5628 1.5894 -2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6155 -0.2717 -1.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8051 0.0877 0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0940 0.9334 0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9581 2.3365 0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2856 2.5870 -2.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2436 1.1111 -2.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9994 3.6281 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7730 3.1096 -2.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8120 1.7377 0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1530 2.6038 -0.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7318 0.0948 -1.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8663 -0.4890 -2.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8880 2.2111 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5808 1.3099 -2.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8022 1.0727 -0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3964 0.1283 0.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3221 -1.3709 -1.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6901 -0.5342 -2.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6980 -2.2952 0.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2435 -2.7533 -1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1943 -2.5036 -0.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1070 -1.1905 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7756 0.5040 0.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0596 -0.5846 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6244 -1.7003 2.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1898 -0.7405 1.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9843 1.3247 2.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5131 0.1325 3.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8319 0.7515 3.3702 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 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 1 0 44 45 1 0 45 46 2 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 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 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 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 25 88 1 0 25 89 1 0 26 90 1 6 27 91 1 0 27 92 1 0 31 93 1 0 32 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 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 53128 1 0 54129 1 0 54130 1 0 54131 1 0 M END