HMDB0241661 RDKit 3D (2E)-4-Hydroxy-3-methylpent-2-enedioylcarnitine 42 41 0 0 0 0 0 0 0 0999 V2000 3.0253 -1.9451 1.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4038 -0.7221 0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0061 -0.9141 -0.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4442 0.0827 -1.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0538 -0.2390 -2.8013 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2872 1.4440 -1.5559 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0352 0.5699 0.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5937 0.5512 2.2263 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5553 0.6971 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 0.7602 2.2408 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6779 0.7500 0.0221 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 0.8739 0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0533 2.2182 -0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 2.8401 -0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3113 2.5081 0.5396 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5772 4.0089 -0.9349 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.3876 -0.2825 -0.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7275 -0.6523 -0.2978 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.6440 -0.0713 -1.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3338 -0.6641 1.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7929 -2.1238 -0.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9034 -2.3417 1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6162 -2.7315 0.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2439 -1.7166 1.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2195 -1.9636 -1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0266 2.0818 -1.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4759 1.4633 0.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1052 -0.1052 2.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8927 0.9251 1.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3014 2.9524 0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7838 2.1737 -1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1258 -0.1748 -1.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7288 -1.1868 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4718 0.3963 -0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1854 0.7171 -1.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0511 -0.8185 -1.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2495 -1.6795 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9915 0.1304 1.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4283 -0.5259 0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2668 -2.7142 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8739 -2.3470 -0.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4266 -2.2248 -1.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 2 0 4 6 1 0 2 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 12 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 6 26 1 0 7 27 1 0 8 28 1 0 12 29 1 0 13 30 1 0 13 31 1 0 17 32 1 0 17 33 1 0 19 34 1 0 19 35 1 0 19 36 1 0 20 37 1 0 20 38 1 0 20 39 1 0 21 40 1 0 21 41 1 0 21 42 1 0 M CHG 2 16 -1 18 1 M END