HMDB0000651 RDKit 3D Decanoylcarnitine 55 54 0 0 0 0 0 0 0 0999 V2000 6.3939 0.7328 1.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9040 -0.0344 0.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9247 -0.8736 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7697 -0.2270 -0.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8432 0.5550 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6758 1.1382 -0.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8619 0.0825 -1.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7019 0.6523 -2.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2597 1.4369 -1.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8729 0.6068 -0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2693 0.4288 0.8768 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0886 -0.0015 -0.3254 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7144 -0.7798 0.6294 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9744 -2.2073 0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7452 -2.9907 0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -2.5167 0.0549 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 -4.3413 -0.2506 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.9106 -0.1122 1.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9756 0.2702 0.4168 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.1620 1.7387 0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2182 -0.1946 1.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0357 -0.1978 -0.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1202 0.6057 2.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4346 0.3646 2.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 1.8104 1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7847 -0.6736 1.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3481 0.7037 -0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5572 -1.6700 0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4997 -1.4951 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1797 -1.0118 -1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1866 0.4861 -1.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4318 0.0287 1.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3784 1.4704 0.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1212 1.8678 -1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0749 1.7080 0.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5793 -0.6890 -0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5029 -0.4238 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1706 -0.1968 -2.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1303 1.3185 -2.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3024 2.2544 -0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0144 1.9188 -1.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9715 -0.8049 1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7760 -2.4140 -0.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3737 -2.6581 1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2248 -0.7748 2.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5195 0.8129 1.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6281 2.0507 1.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9232 1.8978 -0.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2364 2.2477 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0092 -0.3287 0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4954 0.4650 1.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9609 -1.1861 1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6816 -1.1141 -0.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0993 -0.2931 -1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6353 0.5577 -1.5135 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 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 5 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 1 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