HMDB0241671 RDKit 3D Hex-3-enedioylcarnitine 41 40 0 0 0 0 0 0 0 0999 V2000 -3.9035 1.0605 0.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1155 0.5138 -0.2147 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.0299 0.4856 -1.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0696 1.4382 -0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7501 -0.8106 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3752 -1.2591 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2294 -2.6933 0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 -2.6386 1.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5919 -2.9192 2.4054 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4702 -2.2516 2.7576 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.3840 -0.5183 0.5474 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7473 -0.0644 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8806 -0.3335 -1.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7806 0.7091 0.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1298 0.1277 0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1018 0.8032 -0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4301 0.1617 -0.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5274 0.8625 0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6861 0.3832 0.2953 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3274 2.0307 1.0603 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0742 2.1268 0.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3164 0.9509 1.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8364 0.4565 0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2692 1.5399 -1.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9191 -0.0988 -1.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5168 -0.0336 -2.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4664 1.7189 0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4825 1.1945 -1.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 2.4082 -0.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9456 -1.0144 1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -1.5287 -0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0993 -1.2973 -1.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1987 -3.0736 0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9697 -3.3632 -0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7438 1.7643 0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 0.7334 1.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2577 -0.8985 0.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9305 1.8063 -0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6895 0.1140 -1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4024 -0.9126 0.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3716 2.3193 1.2490 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 2 3 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 17 40 1 0 20 41 1 0 M CHG 2 2 1 10 -1 M END