HMDB0289792 RDKit 3D PC(18:1(12Z)-2OH(9,10)/P-18:1(9Z)) 139138 0 0 0 0 0 0 0 0999 V2000 -7.9021 2.9987 0.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6339 2.9950 1.7097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7511 4.1778 1.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4816 4.2194 2.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6046 2.9951 1.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3902 3.1364 2.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0752 2.2913 3.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 1.0788 4.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1949 1.2664 5.5344 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9832 2.3904 5.7939 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7369 0.0113 6.1332 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8248 0.0139 7.5091 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0034 -1.1935 5.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4938 -2.4493 6.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8367 -3.6671 5.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0917 -4.0322 4.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 -5.3352 3.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9231 -5.3362 3.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1913 -4.7076 2.8546 C 0 0 0 0 0 0 0 0 0 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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 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 2 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 54 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 1 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 0 23 90 1 0 24 91 1 6 25 92 1 0 25 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 34 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 36106 1 0 38107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 55139 1 0 M CHG 2 29 -1 33 1 M END