HMDB0240812 RDKit 3D 3,4-dimethylidenedecanedioylcarnitine 57 56 0 0 0 0 0 0 0 0999 V2000 2.3271 1.5082 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1703 0.2099 -0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3298 -0.6571 -0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6392 0.1123 -0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8164 -0.8012 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0868 -0.0086 -0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3026 -0.8815 -0.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5490 -0.0916 -0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5046 1.1434 -0.3967 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.7179 -0.7872 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8033 -0.4024 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7673 -1.6951 -0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3392 0.5180 0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6369 -0.1263 -0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -1.2896 -0.4143 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7487 0.7175 0.0816 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0867 0.2692 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7042 1.1427 -1.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9081 0.9273 -2.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1747 -0.1270 -3.0169 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9382 1.8329 -2.7641 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.7402 0.4653 1.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1156 0.0599 1.3602 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.0220 1.1219 0.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4021 -1.1868 0.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4134 -0.1663 2.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5092 2.1811 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3199 1.9251 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -1.4353 0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2964 -1.1630 -1.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7119 0.5695 0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6514 0.8698 -1.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7773 -1.3003 -1.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8901 -1.5802 0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0463 0.7116 -1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2266 0.5737 0.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3264 -1.6613 0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2410 -1.4105 -1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4200 -0.4049 -1.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7451 -2.2140 -0.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -2.3557 -0.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2868 1.0313 1.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1737 1.3290 -0.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1144 -0.7826 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7440 0.8862 -1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5927 2.2196 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6427 1.4866 1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1818 -0.2056 2.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6534 0.8392 0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7096 1.4463 1.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3868 2.0126 0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6058 -1.9055 0.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4987 -1.1546 -0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3348 -1.5841 1.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8149 -1.0523 3.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1513 0.6988 3.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4790 -0.4476 2.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 2 11 1 0 11 12 2 3 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 17 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 10 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 22 47 1 0 22 48 1 0 24 49 1 0 24 50 1 0 24 51 1 0 25 52 1 0 25 53 1 0 25 54 1 0 26 55 1 0 26 56 1 0 26 57 1 0 M CHG 2 21 -1 23 1 M END