HMDB0013202 RDKit 3D 6-Keto-decanoylcarnitine 54 53 0 0 0 0 0 0 0 0999 V2000 7.8608 -1.3899 1.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1963 -0.7431 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7502 -0.4196 0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1184 0.2270 -1.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 0.5698 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0797 1.0947 -1.7907 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9932 0.3028 0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5427 0.7356 0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 0.4242 1.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4894 0.8215 1.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3934 0.1429 0.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3689 -1.1221 0.8326 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2752 0.7792 0.0184 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 0.1799 -0.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 0.4120 -2.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5143 -0.0797 -2.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4671 0.6509 -2.6984 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2943 -1.3841 -3.2323 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.6049 0.4442 -0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1155 0.0015 0.6139 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.9063 -1.3923 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5697 0.2247 0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6050 0.8170 1.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6314 -2.4882 0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9605 -1.2500 0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4855 -0.9184 1.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2290 -1.5045 -1.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7413 0.1331 -0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6534 0.2089 1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2231 -1.3736 0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6464 1.1851 -1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2244 -0.4607 -1.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9613 -0.8160 0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4393 0.8117 1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0639 0.1413 -0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4454 1.8037 0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5147 1.0027 2.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0245 -0.6384 1.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 1.9297 1.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8253 0.4797 2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0123 -0.9397 -0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6106 -0.1693 -2.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0193 1.4741 -2.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 1.5334 -0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1775 -0.0547 -1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8096 -1.7957 1.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8011 -1.9421 -0.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0450 -1.6129 1.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9479 0.1468 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7007 1.2156 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9954 -0.5933 -0.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9266 0.2292 2.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0606 1.6771 1.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4195 1.2884 2.2925 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 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 14 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 19 44 1 0 19 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 22 50 1 0 22 51 1 0 23 52 1 0 23 53 1 0 23 54 1 0 M CHG 2 18 -1 20 1 M END