HMDB0274592 RDKit 3D PGP(20:4(5Z,8Z,11Z,14Z)-OH(16R)/a-21:0) 149148 0 0 0 0 0 0 0 0999 V2000 7.1817 -13.8713 1.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9361 -13.2244 0.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2045 -12.3588 1.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0023 -11.2009 2.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4264 -10.2536 1.1449 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1474 -9.2335 1.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2129 -9.7174 0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2282 -8.7889 -0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4816 -8.2157 -0.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5153 -8.5098 -2.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4808 -7.5354 -3.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4071 -6.0920 -2.9158 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5358 -5.3995 -3.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -4.6598 -2.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4878 -4.3655 -1.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2748 -2.9185 -1.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3327 -2.3707 -0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3688 -3.1883 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5870 -2.6869 1.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1182 -1.2346 1.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6684 -1.1548 1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0057 -2.2624 1.5025 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 -0.0071 1.3632 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5177 -0.1969 1.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7528 1.0919 1.0718 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2564 0.7901 1.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1854 0.2492 2.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2456 -0.2585 3.1583 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4004 -1.7666 2.8637 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3457 -0.1820 4.8751 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6395 0.4501 2.5156 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7681 -0.0523 3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9955 0.5875 2.6171 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1640 0.3522 1.2573 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2356 0.0945 3.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3339 0.8345 2.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7653 0.3318 3.6363 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.4492 -0.6345 4.7787 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7496 -0.5084 2.5434 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6268 1.6725 4.1876 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9963 1.5968 -0.1684 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6255 2.6947 -0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1507 3.4989 0.1356 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7078 2.9716 -2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5383 2.2350 -2.7776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4658 2.3294 -4.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2444 1.5219 -4.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9827 2.1902 -4.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2577 1.4203 -4.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4188 2.2274 -3.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6102 3.5161 -4.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6778 4.4217 -4.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2088 4.9061 -2.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2145 5.8074 -2.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6808 6.3818 -0.7294 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2465 5.4295 0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2940 4.5384 0.8992 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4117 5.1790 1.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2486 6.0059 2.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7020 5.4776 4.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7300 6.6138 5.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2353 5.0837 4.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3169 6.2269 3.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1004 -13.3362 1.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1237 -13.8894 2.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2720 -14.9407 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2450 -12.6335 -0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2610 -14.0429 0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -12.0468 1.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9401 -12.9861 2.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3102 -10.6140 2.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8739 -11.5819 2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0730 -10.8592 0.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8373 -9.1366 2.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2331 -10.0915 0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2793 -8.4119 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7081 -7.1962 -0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3799 -8.8151 -0.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5641 -9.5409 -2.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5129 -7.8241 -4.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4837 -5.7377 -3.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1901 -5.8067 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6198 -5.5466 -4.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2258 -4.2103 -3.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5807 -4.5270 -1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9396 -5.0343 -0.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9974 -2.2964 -1.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2767 -1.2902 -0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3650 -2.9078 -0.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5589 -4.2426 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6775 -2.6886 1.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.3456 2.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3480 -0.9607 2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6692 -0.5371 1.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3486 -0.8549 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1128 -0.7648 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1396 1.8075 1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0464 0.0260 0.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2799 1.7237 1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0927 -0.7782 5.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 -1.1416 2.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7065 0.1362 4.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0021 1.6956 2.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8840 -0.3205 1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3774 -0.9817 3.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0856 0.2524 4.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6956 -0.2078 2.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9593 2.2492 4.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 4.0364 -2.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6351 2.5235 -2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6349 2.6941 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 1.1564 -2.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2712 3.4193 -4.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 2.0624 -4.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3396 0.4660 -4.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2131 1.6044 -5.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9559 2.2679 -3.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9849 3.2197 -4.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2079 0.4833 -3.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3608 1.1986 -5.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3336 1.5767 -4.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2187 2.3597 -2.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0255 3.2658 -5.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7192 4.1082 -4.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6537 3.8945 -3.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8117 5.2996 -4.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2986 5.5232 -2.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9487 4.0304 -2.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1980 5.3845 -1.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3397 6.6815 -2.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4497 7.1091 -0.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7873 7.0212 -0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6086 5.9627 1.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5235 4.7111 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8628 3.7055 1.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7628 3.9929 0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0629 5.7231 0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1164 4.3227 1.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7106 6.9817 2.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2945 6.3986 3.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2929 4.6612 4.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7925 6.6800 5.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9081 7.5468 4.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5966 6.4413 5.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 4.8446 5.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0468 4.1732 3.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4598 5.9185 3.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8542 6.6062 4.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 7.0867 3.3296 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 5 7 1 0 7 8 2 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 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 1 0 36 37 1 0 37 38 2 0 37 39 1 0 37 40 1 0 25 41 1 0 41 42 1 0 42 43 2 0 42 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 60 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 6 6 74 1 0 7 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 12 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 35105 1 0 35106 1 0 39107 1 0 40108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 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 56133 1 0 56134 1 0 57135 1 0 57136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 60141 1 0 61142 1 0 61143 1 0 61144 1 0 62145 1 0 62146 1 0 63147 1 0 63148 1 0 63149 1 0 M END