HMDB0284404 RDKit 3D PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)) 130129 0 0 0 0 0 0 0 0999 V2000 -15.4371 -2.7283 0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8493 -4.0095 -0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7101 -3.8807 -1.5865 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6155 -3.9613 -2.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2917 -4.2100 -1.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4463 -3.0511 -1.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9046 -2.2480 -1.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0718 -2.3961 0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7335 -2.5816 0.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2376 -1.7571 1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9054 -0.5954 2.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3762 0.7351 2.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3598 1.1517 1.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4698 0.3072 0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4358 0.8837 0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5276 0.0189 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1696 -1.1644 -0.9985 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3095 -0.3283 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3262 -1.1922 -0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7557 -0.5917 -1.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 0.6718 -1.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5219 1.2187 -2.5825 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8615 1.2961 -0.3617 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1971 2.4836 -0.1045 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1535 2.4241 0.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8984 1.5490 0.5954 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9189 1.4079 1.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8425 2.0538 2.6097 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1176 0.5409 1.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3148 1.4125 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 2.3964 1.9418 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 2.4760 2.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 1.6773 2.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0630 0.5551 1.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9142 0.4140 0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8632 1.5049 0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6602 2.0048 -1.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6355 2.0122 -2.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0280 1.5608 -1.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4077 0.4708 -2.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8250 -0.6926 -2.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9860 -1.1091 -0.9511 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4138 -1.4556 -0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7669 -2.6459 -0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8277 -3.7633 -0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2802 -4.8356 -1.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6335 -5.9960 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6484 -6.4115 0.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0669 -6.8036 1.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1902 3.5625 0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1116 3.8023 -0.7092 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1598 5.0175 -0.1784 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.9988 5.2538 1.3046 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7548 4.5587 -0.5056 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7835 6.4573 -0.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4225 6.7077 -0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 7.9967 -1.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7929 9.1440 -1.1396 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.4479 -2.7123 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8172 -1.8684 0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4316 -2.5837 -0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9358 -4.2389 0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5553 -4.8599 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6460 -3.6945 -2.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5903 -3.8495 -3.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3410 -4.4559 -0.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8296 -5.1315 -2.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2652 -2.8584 -3.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2837 -1.4059 -1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6326 -1.5100 0.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6932 -3.2541 0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1676 -3.4513 0.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2356 -2.0530 2.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9223 -0.7499 3.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0386 -0.6151 2.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9473 1.5674 2.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1493 2.2419 1.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5391 -0.7486 0.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3060 1.9629 0.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2512 0.5355 -1.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4749 -1.1275 -1.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6496 -0.8469 1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 0.6156 0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5619 -1.5484 0.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8707 -2.1266 -0.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -1.3449 -2.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5949 -0.4141 -2.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7724 2.8632 -1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2886 3.4321 1.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6407 2.0918 1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3164 -0.0675 2.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8629 -0.1398 0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0989 0.9156 0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8376 2.0704 0.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8086 3.1585 2.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7460 3.3294 3.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7986 2.4016 2.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2271 1.3111 3.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3999 -0.3238 1.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8791 -0.5115 0.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9405 2.3267 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8777 1.0023 0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6787 2.3881 -1.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4178 2.3959 -3.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3836 1.5195 -0.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6480 2.4635 -2.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3010 0.7354 -3.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0754 -1.4160 -3.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2505 -1.8208 -0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8015 -0.1943 -0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1588 -0.6298 -0.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8482 -2.8279 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8037 -3.5025 -0.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7232 -4.0844 0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3045 -4.6248 -2.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9595 -6.7509 -1.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0811 -7.4006 0.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2120 -5.7855 1.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3943 -7.6133 0.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0476 -7.0651 2.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7671 -5.9382 1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6966 3.2197 1.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7016 4.5246 0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9614 4.6739 -1.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8219 5.9201 -1.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0841 6.8577 0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 8.1287 -1.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3957 7.8605 -2.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7888 8.9303 -1.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3183 9.3837 -0.2318 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 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 24 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 24 88 1 6 25 89 1 0 25 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 54124 1 0 56125 1 0 56126 1 0 57127 1 0 57128 1 0 58129 1 0 58130 1 0 M END