HMDB0268462 RDKit 3D PA(20:4(5Z,8Z,11Z,14Z)-OH(19S)/i-24:0) 142141 0 0 0 0 0 0 0 0999 V2000 16.8507 0.8877 0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9944 -0.5896 0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5456 -0.9520 1.7089 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8503 -1.4299 -0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5950 -1.3443 0.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9273 -0.0144 0.7988 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6486 -0.0978 1.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6981 -1.0403 0.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3739 -1.1303 1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6789 0.1893 1.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3548 0.8158 0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4688 0.0379 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2505 0.8120 -1.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3556 0.1367 -2.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9471 -0.1127 -2.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9896 0.9844 -2.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0923 2.0490 -1.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1078 1.8363 0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0878 1.1775 1.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6984 1.6467 1.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8976 1.4520 -0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7492 -0.0437 -0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0318 -0.7236 0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3237 -0.1831 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8653 -0.4143 2.0785 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 0.5495 0.0341 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 1.0845 0.2298 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2363 0.4480 -0.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -0.9397 -0.5252 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0036 -1.8493 -1.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7816 -1.3764 -2.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9742 -3.2954 -0.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3202 -3.9029 -1.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3974 -3.4845 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7188 -2.0644 -0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9140 -1.5855 -0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0082 -2.3952 -0.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2476 -2.5108 -0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6159 -1.9908 0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8376 -1.1358 1.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1869 0.2326 2.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1734 0.9469 1.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2426 0.5489 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5435 0.5863 1.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5231 1.3501 0.9952 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4739 2.2309 -0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4380 2.0398 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6131 0.9035 -2.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0393 -0.4205 -1.6283 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.2329 -1.2030 -0.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3700 -0.3200 -1.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3448 2.5874 0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6731 2.9747 0.3048 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8401 4.6516 0.1576 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.9135 4.9410 -1.3446 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 5.4646 0.7761 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2462 5.2233 0.8711 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7869 1.3983 1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0916 1.1992 -0.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8176 1.3282 -0.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8454 -0.8698 -0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0148 -1.9434 1.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3729 -0.2068 1.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7961 -0.7686 2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5887 -1.2292 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1904 -2.5072 0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9042 -1.6788 1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9010 -2.1673 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5798 0.7861 1.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7086 0.2860 -0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9685 -0.5572 2.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2372 0.8744 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4718 -0.8200 -0.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0642 -2.1029 0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8105 -1.9530 1.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6543 -1.4141 2.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7161 0.0504 2.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2710 0.8895 2.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3086 1.0782 -0.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8956 1.8152 0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5006 -0.1938 0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9451 -0.9526 -0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1006 1.8885 -1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2910 0.7832 -2.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8529 -0.8030 -3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3581 0.7886 -3.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5455 -0.7720 -3.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8127 -0.8050 -1.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9423 0.5610 -2.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9158 1.5297 -3.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2671 2.8074 -1.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9969 2.7411 -1.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1178 1.4947 0.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1432 2.9364 0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1488 0.0532 0.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4718 1.2243 2.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1127 1.1176 1.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6258 2.7228 1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3263 1.9013 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8684 1.8998 -0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1251 -0.1519 -1.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6946 -0.5600 -0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8731 -1.7860 0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6386 -0.8217 1.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6588 0.8467 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2646 0.8404 -0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9618 0.7015 -1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6631 -3.5344 0.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2609 -3.8317 -1.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5742 -3.6441 -2.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2160 -5.0279 -1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9670 -3.7541 0.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2773 -4.1673 -0.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9520 -1.3496 0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0044 -0.4822 -0.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3414 -1.9251 -1.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6854 -3.4096 -1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0288 -3.1780 -0.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6544 -2.3194 1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9183 -1.6576 2.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7211 -1.2414 1.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4668 0.7377 2.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2620 2.0036 2.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2630 1.2827 -0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0557 -0.3922 0.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7168 -0.0293 2.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4779 1.3187 1.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4630 2.5004 -0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7662 3.2907 0.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3478 3.0237 -1.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4841 2.2782 -0.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6961 0.7947 -2.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4370 1.2088 -2.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2247 -1.1190 -2.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1579 -0.9737 -0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5836 -1.1458 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3628 -2.3108 -0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9840 -0.1299 -1.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6421 3.0806 0.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0944 2.8158 -0.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3124 5.1023 1.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8147 4.4635 1.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 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 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 27 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 10 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 22101 1 0 22102 1 0 23103 1 0 23104 1 0 27105 1 1 28106 1 0 28107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 6 50135 1 0 50136 1 0 50137 1 0 51138 1 0 52139 1 0 52140 1 0 56141 1 0 57142 1 0 M END