HMDB0013128 RDKit 3D Valerylcarnitine 41 40 0 0 0 0 0 0 0 0999 V2000 6.3840 -0.2730 -0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1295 0.3775 0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8832 -0.2021 -0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6915 0.5065 0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4159 0.0352 -0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3893 -0.8654 -1.0791 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2251 0.5764 0.2309 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0596 0.1553 -0.2680 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7286 1.4176 -0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9591 2.0895 -1.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1182 1.6605 -2.2657 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4486 3.2872 -2.3746 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8092 -0.4067 0.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1178 -0.9022 0.6410 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.1932 -1.6367 -0.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3892 -1.8774 1.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1697 0.0594 0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1575 -0.9863 -0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0604 0.5245 -0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9154 -0.8027 0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1501 1.4861 0.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0685 0.2108 1.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8345 -1.2832 -0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9219 -0.0085 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7636 0.3534 1.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8451 1.6016 0.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8852 -0.5987 -1.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7444 1.2308 -1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 2.1045 0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0569 3.9012 -1.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8854 0.3738 1.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1908 -1.2726 1.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9988 -2.4248 -0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4912 -1.0158 -1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2297 -2.1097 -0.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2386 -2.5167 1.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4652 -2.4048 1.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6814 -1.2542 2.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6667 0.1054 -0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9464 -0.2734 1.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7846 1.0580 0.9892 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 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 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 8 27 1 6 9 28 1 0 9 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 15 33 1 0 15 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 M CHG 1 14 1 M END