HMDB0008820 RDKit 3D PC(24:1(15Z)/P-18:1(9Z)) 155154 0 0 0 0 0 0 0 0999 V2000 0.4107 3.5148 7.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0442 2.8012 8.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5851 1.3586 8.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9067 1.3382 8.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4748 -0.0478 8.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1821 -0.8326 7.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7224 -2.2388 7.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2348 -2.2806 7.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7165 -3.6803 7.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5726 -4.1495 7.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1492 -3.3702 6.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6721 -3.3168 6.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2829 -2.4804 4.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8831 -1.0533 5.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3960 -0.1235 4.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9753 -0.3234 2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3120 -1.5735 2.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3372 -2.3470 1.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0188 -1.9576 1.5204 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4133 -1.2886 0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9599 -0.9616 0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1955 -2.1155 1.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8442 -1.9840 1.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3515 -0.8168 1.2118 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0198 -3.1932 1.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -2.7014 1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4765 -3.7307 1.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5295 -4.8074 0.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7422 -4.3650 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9788 -3.5990 -0.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9423 -3.2067 -2.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1172 -2.4088 -2.7833 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2974 -1.1389 -1.9819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0222 -0.3015 -2.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2357 0.9641 -1.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0389 1.8322 -1.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4435 2.2872 -2.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 3.1333 -2.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1211 4.3709 -2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0977 5.1634 -3.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4369 5.6295 -4.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 6.4358 -5.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5443 5.6760 -5.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4303 6.4822 -6.8261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9476 7.7428 -6.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8286 8.5037 -7.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3186 9.7454 -6.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6318 -1.9427 -0.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1546 -3.2336 -0.9635 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5315 -3.6907 -2.5809 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.0583 -3.7629 -2.7025 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9117 -5.2075 -2.8657 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.0269 -2.5109 -3.6475 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 -2.7784 -4.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 -1.5564 -5.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3969 -1.6838 -5.9735 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.1561 -3.0518 -6.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6221 -0.9448 -7.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2442 -1.0967 -5.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0505 4.3646 7.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2212 2.8335 6.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5807 3.8920 7.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7786 3.3188 9.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1387 2.8963 8.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0366 0.8843 9.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9114 0.8707 7.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3421 1.7701 7.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2281 2.0070 9.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5921 0.0882 8.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1234 -0.5614 9.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -0.3233 6.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 -0.8170 7.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2359 -2.7424 8.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4781 -2.7990 6.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4255 -1.8508 8.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -1.7058 7.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3235 -4.3511 8.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 -5.2209 7.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9821 -4.0152 5.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 -2.4335 5.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0284 -4.3660 6.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0315 -2.8912 7.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4103 -2.5448 5.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1190 -2.9698 4.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7685 -0.9188 5.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2827 -0.6640 6.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5180 -0.0695 4.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0610 0.9120 4.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8626 -0.1648 2.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4112 0.4995 1.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3454 -1.9108 1.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6847 -3.2590 1.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9176 -0.2754 0.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5581 -0.5291 -0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8312 -0.1606 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2523 -3.5868 2.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1955 -3.9831 0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7335 -2.1371 0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4561 -1.9295 2.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4199 -3.2111 2.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2045 -4.2390 2.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3304 -5.5190 1.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5814 -5.3737 0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -3.7306 -0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7023 -5.2582 -1.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1355 -2.7081 -0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8908 -4.2194 -0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9852 -4.1953 -2.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9655 -2.7758 -2.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0261 -2.1755 -3.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0281 -3.0417 -2.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6186 -1.3273 -0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -0.5358 -2.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1521 -0.8751 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8446 -0.0721 -3.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5865 0.7161 -0.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0993 1.5297 -1.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2475 1.3945 -0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3233 2.7873 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1148 1.3893 -3.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2256 2.8180 -2.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 2.6791 -1.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1889 4.8841 -2.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 6.1243 -2.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0714 4.7093 -3.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0297 4.7443 -5.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5305 6.2415 -4.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7927 6.7445 -6.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6282 7.4059 -5.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1116 5.2791 -5.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2146 4.7635 -6.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2666 5.8323 -7.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7811 6.7819 -7.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1564 8.4087 -5.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6068 7.5176 -5.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 7.8687 -7.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1576 8.8418 -8.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4890 10.4806 -6.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6370 9.5641 -5.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1714 10.2042 -7.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7198 -1.9311 -1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1478 -1.3644 -1.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9522 -3.6328 -5.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 -3.0010 -3.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 -0.6436 -4.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4633 -1.4430 -5.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2245 -3.0831 -6.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9597 -3.6374 -5.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 -3.4467 -6.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5713 -1.2201 -7.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5246 0.1440 -7.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7912 -1.2139 -7.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5285 -0.1150 -4.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -0.9578 -6.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0829 -1.7667 -4.5052 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 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 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 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 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 20 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 18 92 1 0 20 93 1 0 21 94 1 0 21 95 1 0 25 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 46136 1 0 46137 1 0 47138 1 0 47139 1 0 47140 1 0 48141 1 0 48142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 57147 1 0 57148 1 0 57149 1 0 58150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 59155 1 0 M CHG 2 52 -1 56 1 M END