HMDB0301613 RDKit 3D 2-ethylpropanedioyl-CoA 98100 0 0 0 0 0 0 0 0999 V2000 9.9058 -0.1966 -2.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4804 0.9918 -1.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3834 0.7075 -0.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0545 1.9453 -0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9056 2.4539 -0.2367 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0849 2.5521 0.5389 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8175 -0.3752 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8985 -0.1847 1.2026 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2387 -1.9981 -0.6253 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5819 -3.1265 0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4115 -3.7232 1.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3878 -2.8869 1.8686 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4783 -2.2034 0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4866 -2.3006 -0.2449 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4398 -1.3061 1.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5911 -0.7105 0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5935 0.1632 1.1574 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6699 0.8392 0.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7681 0.6474 -0.9297 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6213 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19 2 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 43 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 38 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 51 36 1 0 48 39 1 0 48 42 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 6 63 1 0 10 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 15 69 1 0 15 70 1 0 16 71 1 0 16 72 1 0 17 73 1 0 20 74 1 0 21 75 1 0 23 76 1 0 23 77 1 0 23 78 1 0 24 79 1 0 24 80 1 0 24 81 1 0 25 82 1 0 25 83 1 0 29 84 1 0 33 85 1 0 35 86 1 0 35 87 1 0 36 88 1 0 38 89 1 0 40 90 1 0 44 91 1 0 44 92 1 0 46 93 1 0 49 94 1 0 50 95 1 0 51 96 1 0 55 97 1 0 56 98 1 0 M END