HMDB0000459 RDKit 3D 3-Methylcrotonylglycine 22 21 0 0 0 0 0 0 0 0999 V2000 -2.4393 1.3542 -0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2462 -0.0941 -0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4778 -0.9431 -0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -0.6023 -0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1397 0.1853 -0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1001 1.4256 0.0201 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4212 -0.4260 -0.1333 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6491 0.3116 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7945 -0.6079 -0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5909 -1.8326 -0.1949 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1136 -0.1856 0.0685 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0214 1.6532 0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5391 1.5638 -0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9416 1.9568 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0130 -0.5392 -1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2271 -1.9995 -0.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1519 -0.7569 0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9619 -1.6789 -0.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4599 -1.4612 -0.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7109 1.1315 -0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6559 0.8043 1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4296 0.7411 -0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 7 19 1 0 8 20 1 0 8 21 1 0 11 22 1 0 M END