HMDB0286057 RDKit 3D PC(16:1(9Z)/18:1(9Z)-O(12,13)) 131131 0 0 0 0 0 0 0 0999 V2000 4.9772 -9.7382 -2.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5026 -8.4443 -1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4144 -7.3095 -2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0285 -7.0369 -3.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8991 -5.9650 -4.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2857 -4.5661 -3.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6493 -4.2966 -3.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0871 -3.7540 -2.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1712 -3.3578 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3168 -1.8474 -1.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3674 -1.4546 0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3144 -0.0894 0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0050 1.0416 -0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7128 1.0725 -1.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4972 1.0168 -0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2879 1.1008 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4389 1.3557 -2.3299 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9898 0.9129 -0.6392 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1753 0.9752 -1.3719 C 0 0 0 0 0 0 0 0 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3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 19 83 1 0 19 84 1 0 20 85 1 1 21 86 1 0 21 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 30 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 32100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 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 44116 1 0 45117 1 0 45118 1 0 46119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 M CHG 2 25 -1 29 1 M END