HMDB0288995 RDKit 3D PC(18:3(10,12,15)-OH(9)/DiMe(11,3)) 138138 0 0 0 0 0 0 0 0999 V2000 5.4122 -3.0185 -5.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9477 -3.6072 -6.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1810 -4.8113 -6.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8849 -5.0517 -6.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2906 -6.3298 -6.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1193 -6.0444 -5.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1624 -6.3453 -3.8527 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0367 -6.0851 -2.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7565 -5.9214 -2.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 -5.7006 -1.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6516 -6.8413 -1.2066 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6084 -4.4801 -1.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8614 -3.2028 -0.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8049 -2.1067 -0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8148 -1.6282 -1.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2499 -0.9261 -2.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3576 -0.3937 -3.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2819 0.5670 -2.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5007 1.7230 -2.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 2.5113 -3.0883 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3936 1.9492 -0.9693 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7356 2.9122 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2167 4.3412 -0.4828 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6657 4.4886 -0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7853 4.1234 1.1771 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0365 3.6989 2.6171 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.3507 4.6813 3.6199 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6912 3.6143 3.1263 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.2684 2.1892 3.0086 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6979 2.2221 4.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9917 0.8946 4.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 0.9408 5.8661 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.2054 0.1052 5.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9477 2.2783 6.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2837 0.4442 6.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9726 4.6488 -1.7845 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9375 5.5533 -2.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3003 6.0951 -1.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7289 5.7185 -3.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 6.1937 -3.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3153 5.4009 -3.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5449 3.8956 -3.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5098 3.2862 -2.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2996 1.7900 -1.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4656 1.4502 -1.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4135 0.0677 -0.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7551 -0.1653 0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0341 0.8582 1.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4182 0.6531 1.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8095 0.2459 3.0293 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 0.2264 3.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9608 -0.1914 4.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4786 -1.5878 4.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3236 -1.9447 3.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6547 0.6581 1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0457 0.8425 1.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5493 0.9311 1.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5157 1.4428 -0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6953 -1.9644 -5.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3089 -3.6287 -4.8245 H 0 0 0 0 0 0 0 0 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23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 39 1 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 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 51 55 2 0 55 56 1 0 55 57 1 0 57 58 1 0 57 49 2 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 9 71 1 0 10 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 22 88 1 0 22 89 1 0 23 90 1 1 24 91 1 0 24 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 33 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 35105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 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 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 54132 1 0 56133 1 0 56134 1 0 56135 1 0 58136 1 0 58137 1 0 58138 1 0 M CHG 2 28 -1 32 1 M END