HMDB0001484 RDKit 3D Acetoacetyl-CoA 94 96 0 0 0 0 0 0 0 0999 V2000 13.3680 -2.9999 -0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6355 -1.6877 -1.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6134 -1.6503 -2.4166 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9098 -0.5056 -0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7964 0.4963 -0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7687 1.2350 -1.3765 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5536 0.5754 0.8680 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3759 1.9125 0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5933 1.5513 -0.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8728 0.3264 -0.5302 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 0.2145 0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6245 1.1836 1.2156 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2040 -1.0649 0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8966 -1.1217 1.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7498 -0.6103 0.7137 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3740 0.6381 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0586 1.6879 0.3067 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0201 0.8367 -0.3837 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1033 2.0351 -1.1276 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 1.0119 0.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 2.2345 1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8922 -0.1736 1.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6144 1.1908 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3069 0.1014 -0.8217 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1705 0.2639 -1.6240 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7775 1.5781 -1.1986 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8189 0.3885 -3.2861 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2036 -1.0277 -1.4137 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0714 -1.0035 0.0121 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.5084 -2.4187 0.4064 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0517 -0.4992 1.2931 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4062 -0.0073 0.0163 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4564 -0.4664 -0.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6458 0.4683 -0.7143 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6467 -0.0322 -1.5019 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8525 0.0614 -0.8278 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.8298 -0.8876 -1.3077 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7432 -1.8345 -2.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9194 -2.4740 -2.3388 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.7800 -1.9355 -1.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0859 -2.1668 -1.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8087 -3.1863 -1.7873 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.6685 -1.4281 -0.1938 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.0253 -0.4402 0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7456 -0.2132 0.1335 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0835 -0.9275 -0.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4296 -0.2538 0.6052 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.3876 0.1111 1.5189 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1810 0.6108 0.6941 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.6162 1.8989 0.9824 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9554 2.4853 2.4168 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.6252 1.3380 3.3607 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5814 3.3957 2.0763 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0882 3.4582 3.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2701 -3.6289 -0.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5698 -3.5212 -1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9598 -2.8725 0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0475 -0.8561 0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8578 0.0062 -0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7021 2.0649 1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 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1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 41 43 1 0 43 44 2 0 44 45 1 0 45 46 2 0 36 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 49 34 1 0 46 37 1 0 46 40 1 0 1 55 1 0 1 56 1 0 1 57 1 0 4 58 1 0 4 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 9 63 1 0 10 64 1 0 13 65 1 0 13 66 1 0 14 67 1 0 14 68 1 0 15 69 1 0 18 70 1 6 19 71 1 0 21 72 1 0 21 73 1 0 21 74 1 0 22 75 1 0 22 76 1 0 22 77 1 0 23 78 1 0 23 79 1 0 27 80 1 0 31 81 1 0 33 82 1 0 33 83 1 0 34 84 1 6 36 85 1 1 38 86 1 0 42 87 1 0 42 88 1 0 44 89 1 0 47 90 1 6 48 91 1 0 49 92 1 1 53 93 1 0 54 94 1 0 M END