HMDB0241659 RDKit 3D 3-Methylbut-2-enoylcarnitine 38 37 0 0 0 0 0 0 0 0999 V2000 4.7335 -0.7056 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -0.2860 -0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5159 -0.8032 -1.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 0.5427 0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 1.0298 0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0025 1.8412 1.5039 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4895 0.6629 -0.3929 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 1.2363 -0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8966 2.1351 -1.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1416 2.8630 -1.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3102 3.4995 -2.7943 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 2.8784 -0.7472 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.8721 0.1720 -0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8393 -0.8758 0.4996 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.0829 -2.0044 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3022 -0.5097 1.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2113 -1.3322 0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2555 0.0298 0.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 -1.7188 0.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2766 -0.6630 -0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1182 -1.4803 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -1.3029 -0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1695 0.0929 -1.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3712 0.9098 1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 1.8819 0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0213 2.8222 -1.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6858 1.4562 -2.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 -0.2939 -1.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8727 0.6364 -0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8355 -1.8171 -1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6816 -2.9189 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1316 -2.1487 0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 0.5520 2.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2822 -0.9425 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9044 -1.0403 2.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2268 -2.3903 1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7259 -1.3562 -0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 -0.6524 1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 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 3 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 13 28 1 0 13 29 1 0 15 30 1 0 15 31 1 0 15 32 1 0 16 33 1 0 16 34 1 0 16 35 1 0 17 36 1 0 17 37 1 0 17 38 1 0 M CHG 2 12 -1 14 1 M END