HMDB0283623 RDKit 3D PS(20:4(5Z,8Z,10E,14Z)-OH(12S)/24:0) 153152 0 0 0 0 0 0 0 0999 V2000 -2.1221 -6.3626 -4.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4756 -6.9527 -3.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9278 -8.3653 -3.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2818 -8.9511 -2.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 -8.2223 -0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9182 -8.9225 0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0237 -8.3995 1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4487 -7.0181 0.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9603 -7.0949 0.6855 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1967 -7.8041 -0.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4543 -5.7068 0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4122 -4.8490 1.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8909 -3.4892 1.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8457 -2.6638 2.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3335 -2.9684 3.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4756 -2.7267 4.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4886 -1.8644 5.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3273 -1.0164 5.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6472 0.4685 5.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4616 1.3146 6.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6775 2.7727 6.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2453 3.4402 6.9123 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2524 3.4398 4.8518 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4699 4.8108 4.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9889 5.5210 3.5781 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5492 5.4130 3.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9328 6.3109 2.4269 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6045 6.2750 2.1866 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.2915 5.8833 3.4762 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1609 7.8200 1.7778 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9768 5.2431 0.9242 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9068 5.8080 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2375 4.8453 -1.0728 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2066 5.4362 -1.9633 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7796 3.5976 -0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0716 2.9340 0.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0300 3.1398 -0.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 5.1677 2.3554 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 6.1480 1.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 7.3513 2.0381 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8205 6.0026 0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 6.2009 -0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7221 6.1830 -2.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8726 6.4205 -3.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8389 5.4979 -3.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1469 4.2070 -4.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9019 3.1934 -3.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1608 1.8983 -4.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0836 0.9368 -4.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1577 1.3288 -5.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0949 0.1190 -5.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3021 -0.6240 -4.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3635 -1.6825 -4.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4417 -2.5465 -3.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5084 -1.6474 -1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6224 -2.4280 -0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -1.4790 0.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -0.9044 0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7932 0.0461 1.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6812 0.4541 1.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1858 1.4509 2.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6533 1.7758 2.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8358 2.2956 0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3073 -7.2216 -5.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -5.6133 -5.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1113 -5.9358 -4.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7962 -6.3127 -2.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3905 -6.9412 -3.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0296 -8.3309 -3.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 -8.9731 -4.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6003 -10.0267 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1654 -9.0256 -2.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 -8.3604 -0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3264 -7.1790 -0.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2142 -9.9835 0.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4245 -9.0073 1.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -6.3645 0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2975 -6.5285 1.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4148 -7.6385 1.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0558 -8.7705 -0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8512 -5.3705 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -5.2037 2.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2865 -3.2104 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2274 -1.6485 2.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4615 -2.3356 3.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9722 -4.0049 3.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3933 -3.3282 4.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4189 -1.8089 6.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0526 -1.1376 7.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5054 -1.2176 5.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4975 0.7005 6.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9842 0.7082 4.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2233 1.1172 7.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5793 1.0018 5.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5454 5.0882 4.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 5.2568 5.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1368 6.6102 3.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8658 4.3841 3.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0475 5.7502 4.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0346 8.4816 2.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4994 6.7549 -0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 6.0927 0.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3095 4.6964 -1.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9130 4.7527 -2.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7474 5.9840 -2.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1889 2.1965 -1.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6159 6.8050 0.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3767 5.0647 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4009 7.1909 -0.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0995 5.4343 -0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4696 5.4157 -2.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3386 7.1552 -2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4015 7.4737 -3.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 6.6330 -4.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2102 6.0747 -4.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0843 5.3573 -2.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8365 4.4909 -5.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2584 3.7655 -4.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3516 2.9201 -2.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8784 3.5985 -3.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9323 1.3585 -3.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7983 2.0733 -5.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 0.5005 -3.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 -0.0278 -5.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0093 1.8361 -6.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7887 1.9926 -4.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 -0.5312 -6.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0501 0.5515 -5.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6518 0.1521 -3.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3762 -1.1108 -3.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0704 -2.3887 -5.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3495 -1.2720 -4.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5674 -3.2139 -3.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3296 -3.1837 -3.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3880 -0.9797 -2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -0.9804 -2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8874 -3.2376 -0.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6362 -2.8577 -0.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6319 -2.1012 1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2035 -0.6573 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2993 -1.6886 0.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9911 -0.2895 -0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9503 -0.3472 2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3724 0.9786 1.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2505 -0.4667 1.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7024 0.8860 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6324 2.4168 2.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0627 1.0138 3.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9397 2.6174 2.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3194 0.9331 2.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8441 2.8033 0.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0801 3.0290 0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8131 1.4699 -0.0678 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 1 0 16 17 2 0 17 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 2 0 35 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 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 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 1 10 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 24 95 1 0 24 96 1 0 25 97 1 1 26 98 1 0 26 99 1 0 30100 1 0 32101 1 0 32102 1 0 33103 1 6 34104 1 0 34105 1 0 37106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 60145 1 0 60146 1 0 61147 1 0 61148 1 0 62149 1 0 62150 1 0 63151 1 0 63152 1 0 63153 1 0 M END