HMDB0000590 RDKit 3D Glutarylglycine 24 23 0 0 0 0 0 0 0 0999 V2000 -2.4357 -1.9333 -0.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2802 -1.0210 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4781 -1.2967 -0.9913 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0221 0.2943 0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6193 0.4336 0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6461 0.3272 -0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7649 0.4556 0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9776 0.6308 1.3146 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7907 0.3771 -0.8639 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1938 0.4867 -0.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 -0.5437 0.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 -1.4444 0.8806 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0081 -0.5351 0.7321 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2820 -0.7408 -0.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2234 1.0406 -0.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7788 0.5703 1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4039 -0.4298 1.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 1.3680 1.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8231 -0.5818 -0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8724 1.1892 -1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5312 0.2303 -1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7741 0.3795 -1.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3535 1.5231 -0.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3321 -0.7796 1.6597 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 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 3 14 1 0 4 15 1 0 4 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 9 21 1 0 10 22 1 0 10 23 1 0 13 24 1 0 M END