HMDB0261177 RDKit 3D PE(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/18:0) 134134 0 0 0 0 0 0 0 0999 V2000 17.5509 4.2549 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9427 2.9873 0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4871 3.0863 0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6940 2.2483 -0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1496 1.0483 -0.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5374 -0.1817 -0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7742 -0.5495 0.9933 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5344 -0.0005 0.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2875 -0.8521 0.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3496 -0.6809 1.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1457 -0.2154 1.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5975 0.1972 0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2691 1.6508 0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0780 2.0908 0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8940 1.3039 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3257 1.7727 -1.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1248 2.2964 -1.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2515 2.4650 -0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9614 1.8264 -0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3803 0.9660 -0.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9093 0.4017 -2.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -1.1485 -2.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5659 -1.6191 -1.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5918 -0.8047 -2.0758 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2608 -2.9474 -1.7376 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1209 -3.3006 -1.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7573 -2.6413 -0.4701 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2188 -3.3479 0.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4612 -4.7213 0.6569 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1063 -5.5689 1.9813 P 0 0 0 0 0 5 0 0 0 0 0 0 1.4098 -4.9454 2.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9944 -5.5573 3.2878 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4012 -7.1904 1.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4978 -7.3428 0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7799 -8.7877 -0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2943 -9.6258 0.3474 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1568 -2.9396 -0.4782 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0729 -1.8743 -0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5685 -0.7269 -0.3412 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5338 -2.0463 -0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1488 -0.6738 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7605 -0.3898 1.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0381 0.8940 2.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3068 1.5478 2.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2199 2.0757 1.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9405 1.3423 0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8613 0.2710 0.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6071 -0.4715 -0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5020 0.1719 -1.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6757 0.9476 -0.8099 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5244 2.1471 0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8967 2.7542 0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6200 3.1871 -0.9435 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9564 3.7928 -0.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7293 4.2621 -1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0334 4.8612 -1.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8814 4.6680 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7274 5.0312 0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5263 4.0060 -0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2429 2.9714 1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3865 2.1288 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9995 3.9325 0.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6080 2.4490 -0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6437 1.1344 -1.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2317 0.9801 -1.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3854 -1.0328 -1.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4378 1.0254 1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7058 -1.9258 0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9293 -0.8430 -0.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6919 -0.9718 2.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4528 -0.0981 2.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7903 -0.4368 -0.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3897 0.1264 -0.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 2.3271 0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9247 3.1835 0.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2115 1.3069 0.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0770 0.1968 -0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9215 1.6880 -2.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7699 2.6845 -2.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7873 2.5232 0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9665 3.6161 -0.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3236 2.1055 0.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3397 0.6111 -0.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7878 0.7742 -2.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0879 0.5532 -2.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6118 -1.4973 -1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3733 -1.4534 -3.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -3.0426 -2.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 -4.3950 -1.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6184 -1.5618 -0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -2.9477 1.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8823 -3.2038 0.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8975 -5.3231 3.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3331 -6.7332 -0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4174 -6.9741 -0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7556 -9.1159 0.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8443 -8.7993 -1.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3141 -10.4793 -0.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 -9.0757 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9299 -2.3343 -1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8708 -2.7754 0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2470 -0.8914 -0.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8631 0.1144 -0.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6508 -0.6243 1.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 -1.2443 2.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2756 1.6546 1.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 0.8733 3.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0585 2.4626 2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8571 0.9120 3.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6337 2.9193 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0127 2.7513 1.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5974 2.1579 -0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3757 0.9623 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3869 0.6543 1.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1430 -0.4911 1.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8510 -1.0595 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1780 -1.2933 0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9265 -0.6848 -1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9342 0.7318 -2.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4804 0.3107 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2063 1.2827 -1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9875 2.9281 -0.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0917 2.0249 1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7332 3.5766 1.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4775 1.9756 0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9092 2.2893 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1146 3.9625 -1.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7092 4.6705 0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5544 3.0292 0.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9716 3.3975 -2.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1949 5.0039 -2.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9287 5.9259 -0.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4303 4.2418 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7869 4.7734 -2.0382 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 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 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 27 37 1 0 37 38 1 0 38 39 2 0 38 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 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 54 55 1 0 55 56 1 0 8 6 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 26 88 1 0 26 89 1 0 27 90 1 1 28 91 1 0 28 92 1 0 32 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 M END