HMDB0009620 RDKit 3D PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)) 133132 0 0 0 0 0 0 0 0999 V2000 4.7169 2.8473 -1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7691 2.5033 -2.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7743 3.6492 -2.9931 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7669 3.4680 -4.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9846 2.1662 -3.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0081 1.9277 -4.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2654 1.8405 -4.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9045 1.9756 -3.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6189 0.6867 -3.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9047 0.5493 -2.9115 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8595 1.5950 -3.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8346 1.9605 -2.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1066 1.5086 -0.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3638 0.3995 -0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0955 0.9046 1.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5985 0.2542 2.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3792 -0.9181 1.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0503 -2.2230 2.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1846 -2.5788 3.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2495 -1.9230 4.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8028 -2.1509 4.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0386 -1.5960 3.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5312 -0.6807 2.3067 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7827 -2.0211 2.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1591 -1.6680 1.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0986 -1.5583 0.3277 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7509 -0.2351 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1558 0.7864 0.7561 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9183 2.2400 0.5465 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.2601 2.0950 -0.1213 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2665 2.9776 2.0654 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 3.3449 -0.4012 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 4.5701 -0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0481 5.6306 -1.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2575 5.9259 -0.7073 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6268 -2.6896 -0.1959 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0876 -3.5981 -1.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0443 -3.3587 -1.5222 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8495 -4.7700 -1.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0577 -5.8907 -2.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8122 -6.5889 -1.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9654 -5.8651 -0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6143 -6.9333 0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8614 -6.5684 1.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8355 -5.3138 1.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1742 -5.1777 2.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9881 -4.1878 2.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8012 -3.0042 1.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9474 -1.7339 2.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8447 -0.5131 1.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5614 -0.2864 0.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3879 -0.1201 1.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6559 1.0678 2.6547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4819 1.2450 3.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2536 0.0620 4.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2044 3.0170 -0.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4475 2.0085 -1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3127 3.7439 -2.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 2.4266 -3.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3263 1.5407 -2.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3521 4.5877 -3.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2728 3.6746 -1.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3235 3.3889 -5.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0734 4.3145 -4.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7983 1.3738 -3.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6722 2.2249 -2.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 1.8175 -5.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9655 1.6540 -5.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5529 2.8560 -3.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1818 2.1331 -2.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 -0.2214 -2.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2686 -0.4867 -2.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3697 2.5140 -3.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5146 1.2918 -3.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5164 2.8319 -2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9685 1.9641 -0.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 0.3678 -0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8366 -0.5324 -0.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5107 1.7833 1.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3772 0.7177 3.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8526 -0.9612 0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4345 -0.7002 2.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6754 -3.0550 1.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1770 -3.7353 3.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4024 -0.8233 4.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5253 -2.2783 5.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5247 -3.2535 4.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2941 -1.7715 5.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -2.4456 1.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6152 -0.6799 2.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9808 -1.3998 -0.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8274 -0.2188 -0.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 -0.0031 -1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4585 3.4971 2.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7493 4.4215 -0.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8347 4.8842 0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0891 5.4521 -2.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6552 6.5720 -1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6472 5.1104 -0.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9274 6.2553 -1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 -5.0982 -0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5378 -4.4393 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5271 -5.5307 -2.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7566 -6.6556 -2.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1931 -6.9594 -0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2243 -7.5444 -1.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6913 -5.4545 -1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5893 -5.1070 0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7003 -7.8515 -0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7774 -7.1669 1.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2353 -7.4409 1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6659 -6.4603 0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5961 -4.4707 1.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0594 -5.4103 2.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -5.9734 3.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9824 -4.1732 2.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5855 -2.9758 0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8357 -2.9365 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9037 -1.7748 2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1045 -1.7904 3.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1364 0.4155 2.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6399 -0.5982 0.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6535 0.6697 0.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3701 -1.0920 0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5387 0.1822 1.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1173 -1.0361 2.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6091 0.9803 3.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6775 1.9663 1.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5825 1.3595 2.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5508 2.2002 4.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8985 -0.8025 4.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4735 0.3619 5.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1865 -0.3048 4.4580 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 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 32 33 1 0 33 34 1 0 34 35 1 0 26 36 1 0 36 37 1 0 37 38 2 0 37 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 2 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 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 0 25 90 1 0 26 91 1 6 27 92 1 0 27 93 1 0 31 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 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 45114 1 0 46115 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 55131 1 0 55132 1 0 55133 1 0 M END