HMDB0060421 RDKit 3D 7-Methyl-3-oxo-6-octenoyl-CoA 107109 0 0 0 0 0 0 0 0999 V2000 16.3815 -0.1183 0.6429 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9718 0.9413 -0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9012 2.0419 -0.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7814 0.9050 -0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8315 -0.1788 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5394 0.3833 0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6008 -0.7196 0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9325 -1.8835 0.2233 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2003 -0.4163 0.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0091 1.0247 1.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7871 1.5905 1.8177 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7039 1.9358 0.2550 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6395 0.8744 -0.7065 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7609 -0.0214 0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9846 -0.8340 -0.7101 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8862 -0.5334 -1.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2911 -1.4924 -2.1054 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2381 0.7784 -1.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 0.5794 -0.4027 C 0 0 0 0 0 0 0 0 0 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0.1667 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7531 1.4142 0.8575 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.8441 1.7320 -0.0417 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.0629 1.2496 -1.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1979 1.7936 -1.7872 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.7080 2.6404 -0.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8364 3.4340 -0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6814 3.4521 -2.0317 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.0845 4.1884 0.2014 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.2542 4.1491 1.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1571 3.3644 1.2766 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.8462 2.5858 0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7910 -0.0433 1.2455 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.8270 -0.2335 2.6107 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4244 -0.5436 0.7388 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.8912 -1.4645 1.6203 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6494 -2.9810 0.9712 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.1294 -3.8833 2.0699 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0777 -3.6543 0.3589 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5299 -2.8907 -0.2899 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7137 -0.0446 1.5416 H 0 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6 70 1 0 9 71 1 0 9 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 22 82 1 0 23 83 1 6 24 84 1 0 26 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 32 93 1 0 36 94 1 0 38 95 1 0 38 96 1 0 39 97 1 1 41 98 1 1 43 99 1 0 47100 1 0 47101 1 0 49102 1 0 52103 1 6 53104 1 0 54105 1 6 58106 1 0 59107 1 0 M END