HMDB0003937 RDKit 3D 3-Oxododecanoyl-CoA 118120 0 0 0 0 0 0 0 0999 V2000 18.0948 -0.4771 1.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9761 -0.7038 0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7802 0.5618 -0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6135 0.3084 -1.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4561 1.5726 -2.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4989 1.6597 -3.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0552 1.4050 -3.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6737 0.0239 -3.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1992 -0.2182 -2.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6629 0.5317 -1.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1929 1.4773 -1.2113 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3415 0.0786 -1.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5986 -1.0456 -0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8183 -1.3462 -0.0809 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4771 -1.9796 0.7202 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7923 -1.3942 0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6829 -0.1213 1.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 0.2947 1.4848 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3341 -0.5880 2.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 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17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 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 18 88 1 0 21 89 1 0 21 90 1 0 22 91 1 0 22 92 1 0 23 93 1 0 26 94 1 0 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 6 56115 1 0 57116 1 1 61117 1 0 62118 1 0 M END