HMDB0241038 RDKit 3D 3-Methylhexanoylcarnitine 46 45 0 0 0 0 0 0 0 0999 V2000 5.9655 0.4671 0.9076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 0.0347 1.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6128 -0.3751 0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1889 0.6870 -0.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2562 1.2299 -1.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 0.3002 -1.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7918 0.1052 -0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8283 0.3441 0.8237 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4275 -0.3611 -0.8879 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5289 -0.5375 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7865 -2.0103 0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0931 -2.5054 -1.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0665 -1.7175 -2.2939 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 -3.8522 -1.5536 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.6442 0.3417 -0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8451 0.3505 0.3163 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.8767 -0.3053 1.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3152 1.7271 0.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9233 -0.2105 -0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0184 1.4764 0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6703 0.4450 1.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.2881 0.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8327 -0.7718 2.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2154 0.9047 2.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 -0.7157 1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9369 -1.3123 -0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9184 1.5767 0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1458 0.6203 -1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5728 2.2757 -1.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7588 1.3739 -2.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7118 1.1178 -2.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1664 -0.6576 -1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 -0.2515 1.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4631 -2.3725 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7846 -2.4777 0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9087 0.2463 -1.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2327 1.4010 -0.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4321 -1.2754 1.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 -0.3764 2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5057 0.2677 2.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6054 2.1834 1.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2808 1.6012 1.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4889 2.2881 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5381 -1.0068 -1.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7427 -0.5886 0.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3560 0.6034 -1.1709 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 4 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 10 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 15 36 1 0 15 37 1 0 17 38 1 0 17 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 18 43 1 0 19 44 1 0 19 45 1 0 19 46 1 0 M CHG 2 14 -1 16 1 M END