HMDB0062368 RDKit 3D 3-oxo-dodecanoyl-CoA 118120 0 0 0 0 0 0 0 0999 V2000 15.0820 3.9145 -1.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3714 2.4781 -1.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9599 1.5965 -0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2846 0.1714 -0.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9396 -0.8206 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4750 -0.8265 0.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6333 -1.1738 -0.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1551 -1.2147 -0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6575 0.1224 0.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1802 0.0291 0.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5694 -0.9929 0.4388 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4944 1.2379 1.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0385 0.9247 1.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3724 0.9469 0.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4338 0.5591 2.8993 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6778 0.2158 2.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3858 -1.1071 2.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7549 -1.0431 0.9287 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1190 -1.3160 -0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7599 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1 0 16 17 1 0 17 18 1 0 18 19 2 3 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 3 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 33 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 37 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 2 0 49 50 1 0 49 51 1 0 51 52 2 0 52 53 1 0 53 54 2 0 44 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 2 0 59 61 1 0 59 62 1 0 57 42 1 0 54 45 1 0 54 48 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 6 75 1 0 7 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 9 81 1 0 12 82 1 0 12 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 22 91 1 0 22 92 1 0 25 93 1 0 26 94 1 1 27 95 1 0 29 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 35104 1 0 39105 1 0 41106 1 0 41107 1 0 42108 1 1 44109 1 1 46110 1 0 50111 1 0 50112 1 0 52113 1 0 55114 1 0 56115 1 0 57116 1 1 61117 1 0 62118 1 0 M END