HMDB0287904 RDKit 3D PC(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/22:1(13Z)) 152151 0 0 0 0 0 0 0 0999 V2000 4.2102 4.0585 6.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5439 4.9122 5.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0651 4.0183 4.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3838 4.8074 3.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9534 3.7706 2.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3027 4.4769 1.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7227 4.4655 0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9083 3.7248 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6075 2.6637 -1.1183 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8375 2.0405 -1.4023 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 1.7311 -0.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 0.5642 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6657 -0.3042 0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7856 -1.4943 0.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -2.2874 1.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3191 -3.4664 1.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9254 -4.1160 1.9622 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8540 -4.5798 3.3033 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1979 -5.4081 1.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4873 -5.9642 1.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8606 -7.2339 0.9754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0757 -7.0917 -0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3892 -8.1435 -1.1298 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9814 -5.9409 -1.2025 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2316 -5.9502 -2.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0164 -4.4930 -3.0839 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0294 -3.6226 -2.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8741 -3.7215 -0.9599 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0508 -2.7749 -0.1734 P 0 0 0 0 0 5 0 0 0 0 0 0 4.9266 -1.3140 -0.5071 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6106 -3.2430 -0.7019 O 0 0 0 0 0 1 0 0 0 0 0 0 4.8939 -2.9881 1.4794 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7556 -1.8021 2.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6216 -2.1100 3.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 -0.9434 4.4793 N 0 0 0 0 0 4 0 0 0 0 0 0 3.3028 -1.0395 5.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2914 0.2730 3.6984 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6176 -0.7237 5.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6847 -4.1348 -2.8209 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8304 -3.6744 -3.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3223 -3.5812 -4.9982 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5805 -3.3165 -3.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7817 -1.9857 -2.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2428 -1.6820 -2.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0573 -1.5998 -3.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4941 -1.3428 -3.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3778 -1.2024 -4.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7680 -0.9871 -4.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1288 0.2187 -3.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0366 1.5411 -4.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8816 2.2480 -4.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7382 2.5762 -3.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7695 3.3693 -4.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3832 4.5807 -4.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8376 5.3344 -3.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7312 5.7631 -2.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8929 4.6999 -1.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5802 3.6679 -0.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2830 4.2949 0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9638 3.2227 1.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6367 3.8952 2.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6323 4.6264 3.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 4.6668 7.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4799 3.4051 7.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9629 3.4234 6.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7219 5.4637 6.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3117 5.6037 5.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4031 3.2346 5.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9685 3.5179 4.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5233 5.3748 4.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1581 5.4861 3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2135 3.1280 3.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8258 3.1701 2.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3957 5.0582 1.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1937 5.0242 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5347 4.4822 -0.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5931 3.3765 0.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3578 3.2053 -2.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4099 2.7714 -1.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5174 1.9852 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7916 0.2808 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3638 0.0151 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7592 -1.8350 0.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4036 -1.9065 0.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2475 -4.0438 1.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -3.5136 1.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7551 -4.5132 3.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2874 -5.1155 0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3976 -6.1571 1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3018 -5.2271 1.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4405 -6.1960 2.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1178 -8.0508 1.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8267 -7.6447 1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2853 -6.2198 -2.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5516 -6.6274 -3.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2799 -4.4064 -4.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0565 -3.8906 -2.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8537 -2.5632 -2.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9040 -1.2071 1.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6706 -1.1792 2.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5880 -2.6192 3.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7666 -2.7808 3.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2718 -2.0453 5.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3493 -0.9220 4.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3218 -0.2492 6.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1709 1.1344 4.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1696 0.5035 3.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3385 0.2070 3.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3891 -0.0817 4.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0327 -1.6495 5.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2620 -0.1216 6.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1673 -3.3451 -4.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0814 -4.0783 -2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2104 -2.0024 -1.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -1.1679 -3.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6902 -2.3405 -1.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2613 -0.6513 -2.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6544 -0.8953 -4.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0406 -2.6100 -4.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8987 -2.2325 -3.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5825 -0.4734 -2.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3544 -2.2424 -5.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9746 -0.5538 -5.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5072 -1.0592 -5.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0554 -1.8736 -3.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2179 0.0113 -3.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6138 0.0824 -2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8748 1.5801 -4.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5469 2.2549 -3.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1681 3.2541 -5.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4402 1.7296 -5.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9774 3.1235 -2.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1318 1.6876 -3.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3994 2.8263 -5.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6648 5.0772 -4.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6958 4.9820 -2.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2103 6.3327 -3.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2068 6.3413 -1.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0736 6.4414 -2.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2783 4.2180 -2.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 5.1942 -0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7448 3.0611 -0.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2374 2.9794 -1.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9994 5.0265 0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5347 4.8491 1.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1598 2.5771 1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6549 2.6124 0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4063 4.6309 2.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1723 3.1577 3.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6795 4.0222 3.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4604 5.6535 2.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9467 4.5665 4.3304 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 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 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 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 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 2 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 6 10 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 1 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 25 94 1 0 25 95 1 0 26 96 1 6 27 97 1 0 27 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 36103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 38111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 53134 1 0 54135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 57140 1 0 57141 1 0 58142 1 0 58143 1 0 59144 1 0 59145 1 0 60146 1 0 60147 1 0 61148 1 0 61149 1 0 62150 1 0 62151 1 0 62152 1 0 M CHG 2 31 -1 35 1 M END