HMDB0003941 RDKit 3D 3-Oxooctanoyl-CoA 106108 0 0 0 0 0 0 0 0999 V2000 8.7083 3.2378 -1.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8189 2.0748 -1.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5408 0.7915 -1.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7028 -0.4004 -1.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4010 -0.4530 -1.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6236 -1.6638 -1.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4983 -1.8765 -1.8609 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2793 -2.6432 -0.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3782 -3.7916 -0.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2478 -3.8061 -0.7803 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7578 -5.1837 0.7780 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2165 -5.0616 1.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1597 -4.3337 3.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6255 -3.0269 3.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2612 -2.7429 2.8119 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4333 -3.6689 2.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7717 -1.3232 2.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2745 -1.2766 2.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7395 0.0793 2.6824 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9814 0.8636 1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6787 0.3128 0.6127 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5268 2.2324 1.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9959 2.6531 0.0423 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0495 2.3781 1.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7671 3.8633 1.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5123 2.2178 2.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2395 1.4904 0.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 1.6011 -0.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5922 0.5120 -1.6544 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6404 0.9621 -3.0907 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -1.0423 -1.5141 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1146 0.6207 -0.9105 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2016 1.5594 -1.7582 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.8517 1.5920 -3.2248 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3396 3.1188 -1.1176 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7301 0.8026 -1.6282 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6054 -0.4499 -2.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9017 -1.2276 -2.1292 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2911 -1.3770 -0.7958 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6500 -1.6841 -0.8315 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3391 -1.3383 0.4018 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7480 -2.1657 1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3562 -1.4518 2.3637 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3455 -0.1619 2.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8116 0.9818 2.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4712 0.9766 3.8954 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6252 2.1499 2.0067 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0070 2.2309 0.8119 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5590 1.1027 0.2321 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7014 -0.0985 0.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2300 -0.9703 -2.0111 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.8405 -1.8594 -2.9084 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0129 -0.3539 -2.6721 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1175 -0.4366 -4.0491 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9146 1.1103 -4.6972 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.8593 1.3689 -5.8566 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3032 1.3111 -5.2324 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2057 2.3094 -3.5431 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6413 3.2223 -1.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1974 4.2076 -1.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8498 3.1590 -2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6577 2.1800 -0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8431 2.1306 -1.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7952 0.7761 -2.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5131 0.7570 -0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3188 -1.3029 -1.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5571 -0.3620 -0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -0.5506 -2.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7733 0.4604 -1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5586 -2.1168 0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2494 -3.0066 -0.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1011 -4.6567 1.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6325 -6.1084 1.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1804 -4.3365 3.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5127 -4.9550 3.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2890 -2.1990 3.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2442 -0.7972 1.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1300 -0.7906 3.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9104 -1.9136 1.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9352 -1.8080 3.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 0.3790 3.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 -9.1197 -1.3834 -3.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8293 0.6774 -2.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1717 2.2602 -5.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3422 2.6536 -3.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 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 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 45 47 1 0 47 48 2 0 48 49 1 0 49 50 2 0 40 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 53 38 1 0 50 41 1 0 50 44 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 8 70 1 0 8 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 17 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 22 82 1 0 23 83 1 0 25 84 1 0 25 85 1 0 25 86 1 0 26 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 31 92 1 0 35 93 1 0 37 94 1 0 37 95 1 0 38 96 1 6 40 97 1 6 42 98 1 0 46 99 1 0 46100 1 0 48101 1 0 51102 1 1 52103 1 0 53104 1 6 57105 1 0 58106 1 0 M END