HMDB0288545 RDKit 3D PC(18:1(12Z)-2OH(9,10)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 142141 0 0 0 0 0 0 0 0999 V2000 5.3765 8.9297 4.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0929 8.2309 4.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2807 7.6883 2.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 6.4146 2.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9234 5.3446 3.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 4.3537 3.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9136 3.0798 3.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6966 2.4451 2.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0169 1.4168 3.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2735 0.8896 4.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3183 1.1905 5.5687 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1372 1.5577 6.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1211 1.6502 7.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7028 1.4422 7.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0182 2.7037 7.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0911 3.4024 7.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6769 3.1912 6.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 4.2510 5.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3979 4.0155 3.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 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3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 25 92 1 6 26 93 1 0 26 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 6 38110 1 0 39111 1 1 40112 1 0 41113 1 0 41114 1 0 42115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 58134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 59139 1 0 60140 1 0 60141 1 0 60142 1 0 M CHG 2 53 -1 57 1 M END