HMDB0002052 RDKit 3D Maleylacetoacetic acid 22 21 0 0 0 0 0 0 0 0999 V2000 -5.0411 1.0363 -0.3222 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8439 0.6888 0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6155 0.7489 1.4197 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 0.2980 -0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7274 -0.0822 -0.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0261 -0.1783 0.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4353 0.0800 1.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4026 -0.6601 0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2559 0.4704 -0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7421 1.5845 -0.2946 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7085 0.4343 -0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3924 -0.7883 0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7785 -1.7357 0.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7540 -0.9020 -0.0906 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1557 0.1733 2.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 0.3184 -2.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2143 -0.3456 -1.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6686 -1.0932 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4122 -1.5114 -0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9248 0.6968 -1.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1401 1.2763 0.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2126 -0.5091 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 3 15 1 0 4 16 1 0 5 17 1 0 8 18 1 0 8 19 1 0 11 20 1 0 11 21 1 0 14 22 1 0 M END