HMDB0286366 RDKit 3D PC(18:1(12Z)-2OH(9,10)/18:1(11Z)) 140139 0 0 0 0 0 0 0 0999 V2000 1.1871 -3.9937 7.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 -2.9557 6.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 -3.4932 5.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5955 -2.6345 4.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1567 -1.3487 4.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2831 -0.3803 5.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 0.1186 6.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 -0.1579 6.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7792 1.1213 6.3234 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3052 1.9668 7.3366 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5937 1.7907 4.9734 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2852 3.0441 4.9985 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1992 1.0319 3.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0327 1.6444 2.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7229 1.7436 1.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 2.4690 2.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5324 2.4702 1.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7573 3.1535 1.9687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 3.1592 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6576 3.8350 -0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0129 5.0422 -0.4492 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0469 3.2437 -1.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9272 4.0435 -2.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2338 3.2882 -3.6650 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2035 3.0388 -3.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7457 4.2897 -2.9361 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3426 4.2666 -2.4459 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5743 3.8492 -1.0416 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9326 5.8689 -2.5945 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.2144 3.3431 -3.5591 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2549 2.6495 -2.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0838 1.8354 -3.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3423 0.8237 -4.5799 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.6648 -0.0495 -3.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4084 1.3327 -5.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3177 -0.0030 -5.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8991 2.1088 -4.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3163 1.9196 -5.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0709 2.8820 -6.1296 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 0.7345 -5.8566 C 0 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17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 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 2 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 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 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 8 71 1 0 9 72 1 1 10 73 1 0 11 74 1 6 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 19 88 1 0 19 89 1 0 23 90 1 0 23 91 1 0 24 92 1 6 25 93 1 0 25 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 34 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 36107 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 49126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 56140 1 0 M CHG 2 29 -1 33 1 M END