HMDB0240787 RDKit 3D 5-Methylnonanoylcarnitine 55 54 0 0 0 0 0 0 0 0999 V2000 7.5990 0.5940 -0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5887 1.2300 0.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2614 0.5057 0.6376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6411 0.4651 -0.7282 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3329 -0.2463 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7576 -0.2517 -2.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2658 0.4131 0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9939 -0.3768 0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0649 0.2709 0.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3094 -0.5471 0.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3415 -1.5885 0.0529 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4972 -0.2222 1.3769 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6374 -0.9640 1.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1553 -1.6648 2.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0977 -2.5961 2.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -2.2252 3.1025 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3625 -3.9421 3.2099 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.7527 -0.1494 0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5440 0.4240 -0.6215 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.8876 1.7319 -0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8239 0.7397 -1.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7808 -0.3222 -1.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5399 1.1963 -0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3105 0.7500 -1.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8755 -0.4329 -0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4674 2.2935 0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9899 1.2252 1.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6064 1.0190 1.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4079 -0.5338 0.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4556 1.5256 -1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 0.0413 -1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4383 -1.3067 -0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1336 0.6611 -2.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1007 -1.1385 -2.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 -0.3105 -2.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6628 0.4635 1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0969 1.4648 -0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -1.4495 0.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 -0.3388 -1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 1.2919 0.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2587 0.3019 1.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4168 -1.8081 0.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5657 -1.0191 3.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0056 -2.3027 2.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0375 0.7043 1.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6915 -0.7547 0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7889 1.6356 -0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3414 2.2657 0.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1421 2.3164 -1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5328 1.0745 -0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1634 -0.1354 -1.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5941 1.5549 -1.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2298 -0.1878 -2.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7394 0.0777 -1.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7673 -1.4226 -1.4190 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 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 13 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 18 45 1 0 18 46 1 0 20 47 1 0 20 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 21 52 1 0 22 53 1 0 22 54 1 0 22 55 1 0 M CHG 2 17 -1 19 1 M END