HMDB0285778 RDKit 3D PC(14:1(9Z)/18:3(9,11,15)-OH(13)) 123122 0 0 0 0 0 0 0 0999 V2000 -1.9988 -3.4139 5.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5759 -2.8348 4.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9205 -2.2353 4.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2147 -0.9857 4.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5667 -0.3671 4.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4548 0.7668 5.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6436 1.3949 5.7908 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3371 1.6807 5.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1537 2.1480 3.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0360 3.0351 3.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7797 3.5467 2.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6127 4.4689 2.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0558 5.7766 1.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0314 6.7983 1.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0268 6.4619 0.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0444 5.4467 0.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9907 5.0790 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9174 3.9776 0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7896 3.4978 -0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 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-1.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7298 -0.0897 -0.2609 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9187 -0.9257 0.5636 P 0 0 0 0 0 5 0 0 0 0 0 0 8.2860 -0.3020 0.3123 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0062 -2.5474 0.1198 O 0 0 0 0 0 1 0 0 0 0 0 0 6.6585 -0.8621 2.2345 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8588 -2.0772 2.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5529 -1.7888 4.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6818 -2.8667 5.2330 N 0 0 0 0 0 4 0 0 0 0 0 0 6.2809 -4.1435 4.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0208 -3.0191 5.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7872 -2.5931 6.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5293 -4.3147 5.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9653 -3.7753 5.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8768 -2.6562 6.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9047 -2.0050 4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6384 -3.6410 3.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6957 -2.9225 4.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4347 -0.3062 3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3222 -1.1072 4.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8641 0.0967 3.5523 H 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 6.1296 -3.1351 7.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 2 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 22 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 42 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 48 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 16 76 1 0 17 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 22 81 1 6 23 82 1 0 23 83 1 0 27 84 1 0 27 85 1 0 28 86 1 0 28 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 49115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 51123 1 0 M CHG 2 44 -1 48 1 M END