HMDB0241082 RDKit 3D Dec-4-enedioylcarnitine 53 52 0 0 0 0 0 0 0 0999 V2000 -5.1973 -0.2869 -1.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1254 -0.3664 -0.9265 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.7069 -0.7026 0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5418 0.9596 -0.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1661 -1.3315 -1.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -1.1709 -0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6097 -1.5981 0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9112 -3.0353 0.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2011 -3.8385 -0.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8679 -3.5720 1.9568 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.1833 0.0738 -1.2076 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0684 0.2096 -2.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3787 -0.8496 -2.5256 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5432 1.5272 -2.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5773 2.4022 -1.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3673 1.7841 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7974 1.5643 -0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5287 0.9231 0.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0991 -0.2461 0.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8594 -1.0505 1.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9712 -0.4162 2.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7082 0.8704 2.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2526 1.3796 1.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7909 1.5636 4.1303 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0344 0.6174 -2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2585 -1.2006 -2.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1734 -0.1250 -1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4696 -1.7286 0.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8164 -0.6917 0.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4974 0.0593 1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3852 1.6832 -0.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0785 1.3019 -1.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 1.0671 0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5636 -2.3184 -1.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2215 -1.2797 -2.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1614 -1.9217 -1.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5196 -1.5021 0.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 -1.0499 1.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0456 2.0622 -3.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5655 1.3654 -2.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4607 2.5511 -0.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0139 3.4129 -1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2844 2.5181 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8778 0.8179 0.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9062 0.9502 -1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2659 2.5440 -0.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5806 1.3867 1.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 -0.7000 -0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8870 -1.2630 1.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 -2.0445 1.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5184 -1.0848 3.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9426 -0.2428 3.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0969 1.4198 4.8424 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 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 6 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 3 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 20 49 1 0 20 50 1 0 21 51 1 0 21 52 1 0 24 53 1 0 M CHG 2 2 1 10 -1 M END