HMDB0001330 RDKit 3D 2-Amino-3-carboxymuconic acid semialdehyde 20 19 0 0 0 0 0 0 0 0999 V2000 -2.1333 -0.7911 0.2516 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1474 0.2722 0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6336 1.6062 0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0537 2.6804 0.0837 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0413 1.7639 0.3891 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1207 -0.1797 -0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0723 0.8633 -0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 0.8931 -0.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 -0.1507 -0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2577 -1.3475 -0.5748 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 -1.6160 -0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2181 -2.2832 -0.2613 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9149 -2.4810 0.0659 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3705 -1.1755 1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6244 -1.1677 -0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2999 2.1914 1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6505 1.9081 -0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7425 1.9726 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3033 0.2275 -0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9173 -3.1864 0.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 2 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 6 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 5 16 1 0 7 17 1 0 8 18 1 0 9 19 1 0 13 20 1 0 M END