HMDB0000749 RDKit 3D Mesaconic acid 15 14 0 0 0 0 0 0 0 0999 V2000 -0.0546 1.1373 0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5199 0.0960 -0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -0.6398 -0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 -0.4114 -0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6457 -1.1216 -1.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3062 0.5342 0.3501 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9363 -0.1657 -0.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7659 0.5381 0.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4157 -1.1344 -1.1488 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4834 1.9793 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9778 1.6453 1.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4733 0.7713 1.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0616 -1.4257 -1.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8003 0.3349 1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2692 -2.1377 -1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 2 7 1 0 7 8 2 0 7 9 1 0 1 10 1 0 1 11 1 0 1 12 1 0 3 13 1 0 6 14 1 0 9 15 1 0 M END