HMDB0284357 RDKit 3D PE(20:4(5Z,8Z,10E,14Z)-OH(12S)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -2.3409 -4.1536 -4.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8735 -3.4459 -3.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3516 -4.4514 -2.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1511 -4.5050 -1.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0045 -3.6784 -1.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9714 -2.5586 -2.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1567 -1.3367 -2.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4271 -0.8911 -1.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7237 -0.2113 -1.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 1.0274 -0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7221 1.8518 -0.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9851 2.4003 1.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9423 3.6921 1.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 4.7195 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4438 5.5140 0.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5037 6.8217 1.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6905 7.5774 0.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 8.6918 -0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9099 9.2253 -0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4705 8.8756 -1.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9112 8.6716 -2.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2997 7.6501 -3.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4962 7.7308 -4.5344 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4578 6.6042 -2.8438 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9743 5.6650 -3.8360 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2900 4.3363 -3.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1194 4.4848 -3.7493 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8985 3.4266 -3.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2424 2.5441 -2.6457 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3565 3.4535 -3.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1044 2.5490 -2.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0569 1.0855 -2.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8152 0.3588 -2.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5103 -0.4612 -1.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 -0.7194 -0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6679 -0.2894 0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3695 -1.0778 1.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7289 -2.4800 1.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3746 -3.2354 2.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6865 -4.6757 2.9035 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0639 -4.8104 2.8373 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1979 -5.1804 4.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4479 -6.5875 4.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5263 -7.4902 4.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0942 -7.1605 4.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5563 -7.4449 6.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4577 -8.8903 6.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1421 -9.0628 7.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6128 -8.6455 7.7353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4394 5.6628 -3.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1745 4.8504 -4.4951 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8361 4.9834 -4.1571 P 0 0 0 0 0 5 0 0 0 0 0 0 5.4806 3.6626 -4.4747 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 6.1698 -5.1863 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1088 5.4789 -2.5865 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4905 4.4385 -1.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7319 4.9077 -0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1229 3.7675 0.4798 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5045 -4.1991 -5.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6764 -5.1591 -4.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 -3.5597 -4.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 -3.1067 -2.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -2.5830 -3.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -5.2426 -1.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0343 -5.3698 -1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7835 -4.4125 -2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5897 -3.4767 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8235 -2.6943 -3.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1236 -0.5135 -3.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4295 -1.7588 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5551 -0.3075 -0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5811 -0.8139 -1.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8627 1.4911 -0.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7806 2.7300 -1.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7407 1.4540 -0.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2316 1.7362 1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1565 4.0575 2.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1864 4.2703 -0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4132 5.3993 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4997 4.9837 1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4065 7.3118 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6195 6.9373 0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8961 8.0870 1.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8628 9.1653 -0.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2429 10.1160 -1.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9008 8.0574 -0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0822 9.7861 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9703 9.6742 -2.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0162 8.4024 -2.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6702 5.9975 -4.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5754 3.6784 -4.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5822 3.7864 -2.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6449 4.5372 -3.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5919 3.3462 -4.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2046 2.8868 -2.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8525 2.7875 -1.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9142 0.5742 -2.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4306 0.9284 -3.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0976 0.4161 -3.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5684 -0.9766 -1.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3949 -0.2643 -0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5646 -1.8064 -0.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3523 0.7652 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8193 -0.6921 2.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2565 -3.0140 0.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -2.7643 3.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1634 -5.2062 2.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4278 -4.1124 2.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7406 -4.5321 5.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1508 -4.8694 4.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4978 -6.9509 4.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8184 -8.5608 4.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2076 -6.2034 4.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3863 -7.9272 4.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -6.7796 6.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -7.1735 6.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5734 -9.2365 6.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -9.5227 5.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6239 -8.4156 8.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1264 -10.1347 8.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2059 -9.0768 8.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7044 -7.5430 7.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0458 -9.0150 6.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6774 5.3802 -2.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7933 6.7248 -3.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1256 6.1237 -6.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6872 3.6958 -1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3920 3.9777 -2.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8061 5.3028 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5169 5.6615 -0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5877 4.0743 1.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7198 3.0941 -0.0313 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 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 25 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 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 6 26 91 1 0 26 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 37104 1 0 38105 1 0 39106 1 0 40107 1 6 41108 1 0 42109 1 0 42110 1 0 43111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 54126 1 0 56127 1 0 56128 1 0 57129 1 0 57130 1 0 58131 1 0 58132 1 0 M END