HMDB0041993 RDKit 3D Pivaloylcarnitine 40 39 0 0 0 0 0 0 0 0999 V2000 3.5431 0.9049 1.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 0.3157 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 1.4014 -0.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 -0.8133 -0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3937 -0.1749 0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2162 -0.0496 1.8818 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3824 -0.7638 -0.0653 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7807 -1.1991 0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9551 -2.7104 0.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0107 -3.2602 -0.8307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -2.6473 -1.9093 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1784 -4.6537 -0.9301 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.0493 -0.6027 0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1553 0.8113 0.1433 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.5886 1.1427 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6867 1.3940 1.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5419 1.4631 -1.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3371 0.4828 2.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4078 2.0102 1.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 0.7556 0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7983 1.0598 -1.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8868 2.2479 -0.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3732 1.8279 -1.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3191 -1.7323 0.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5212 -0.5486 -0.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1434 -0.9863 -1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7109 -0.9785 1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9488 -2.9054 1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2095 -3.2180 1.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1574 -0.8762 -1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8934 -1.0920 0.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0065 1.0553 1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7395 2.1397 -0.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1028 0.3424 -0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6303 0.7545 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 2.3014 1.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6605 1.8178 1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 2.4573 -1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7154 0.8746 -1.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4764 1.6521 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 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 2 0 10 12 1 0 8 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 4 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 13 30 1 0 13 31 1 0 15 32 1 0 15 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 17 40 1 0 M CHG 2 12 -1 14 1 M END