HMDB0289791 RDKit 3D PC(P-18:1(9Z)/18:1(12Z)-2OH(9,10)) 139138 0 0 0 0 0 0 0 0999 V2000 4.9450 4.9739 -1.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0360 5.5043 -2.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1215 5.0210 -3.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2729 3.6808 -4.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4297 2.4300 -3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4076 1.8555 -2.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7921 0.6636 -2.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1476 -0.1539 -3.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0366 -0.4178 -4.9366 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4567 0.7024 -5.4825 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0531 -1.4634 -4.5991 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6924 -2.5927 -4.0306 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -1.1035 -3.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9549 -0.0851 -4.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3627 0.1612 -3.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1448 1.2300 -4.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5021 1.4108 -3.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2906 2.4835 -4.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6397 3.8653 -4.4275 C 0 0 0 0 0 0 0 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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 2 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 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 23 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 6 10 72 1 0 11 73 1 6 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 6 24 90 1 0 24 91 1 0 26 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 53131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 55139 1 0 M CHG 2 48 -1 52 1 M END