HMDB0241710 RDKit 3D (2E)-Oct-2-enedioylcarnitine 47 46 0 0 0 0 0 0 0 0999 V2000 -4.5437 -0.9547 0.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2153 -0.2854 -0.3732 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.8719 -1.1249 -1.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8896 0.9863 -0.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8104 -0.2635 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9098 0.7019 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8579 0.9910 1.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9802 1.5398 2.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5219 2.6582 1.8051 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6151 0.9411 3.2388 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.5414 0.5970 -0.4095 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1894 1.4728 -1.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4769 2.4705 -1.5016 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 1.3595 -1.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3316 0.3266 -1.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7460 0.2385 -1.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6312 0.1882 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3002 -1.0109 0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1939 -1.0562 1.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6036 -1.1424 1.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2646 -0.1052 1.0773 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2122 -2.3768 1.1347 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5885 -1.1591 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9584 -1.9532 0.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2449 -0.3551 1.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3216 -2.0520 -1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0003 -0.5253 -2.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8810 -1.3785 -1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7355 0.9865 -1.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3884 1.1765 0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2378 1.8236 -0.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7107 -0.4595 -1.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4702 -1.3007 -0.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1987 1.7010 -0.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5802 0.0310 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9647 1.6388 1.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 2.1342 -2.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8704 -0.4614 -0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9474 -0.5878 -2.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0126 1.1714 -2.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 1.0956 0.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7169 0.2307 -0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4818 -1.9724 -0.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2354 -1.0402 0.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 -1.9628 2.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9973 -0.1230 2.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8013 -2.8094 1.8298 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 2 3 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 14 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 17 41 1 0 17 42 1 0 18 43 1 0 18 44 1 0 19 45 1 0 19 46 1 0 22 47 1 0 M CHG 2 2 1 10 -1 M END