HMDB0060505 RDKit 3D S-(2-Chloroacetyl)glutathione 42 41 0 0 0 0 0 0 0 0999 V2000 4.7150 0.1755 -1.9632 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3952 0.9410 -0.7788 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8938 0.9941 -0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3866 -0.4276 -0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8964 -0.4310 -0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2494 -1.6503 -0.3269 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2432 0.6319 -0.0987 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1528 0.6792 0.0813 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9283 1.1163 -1.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6543 1.0997 -0.6776 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9993 2.4124 0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9821 2.3316 1.1762 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1529 3.6077 0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6341 4.2033 -1.0792 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7907 -0.6422 0.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4184 -1.2999 1.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6672 -1.1958 -0.2990 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2558 -2.4333 0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6455 -3.2639 -1.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4721 -2.9702 -2.2999 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2604 -4.4796 -0.8363 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9964 0.3483 0.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7891 0.9110 1.5488 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7889 -0.8110 0.4092 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5984 0.5216 -2.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8513 -0.8426 -1.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7947 1.9821 -0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4439 1.4943 -1.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6634 1.5357 0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6995 -1.0249 -1.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8457 -0.8366 0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6825 -2.5443 -0.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 1.3603 0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5695 2.0519 -1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7912 0.2622 -1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7731 4.4499 0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2556 3.4859 1.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3638 -0.7001 2.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5202 -3.0118 0.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1779 -2.2196 0.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8463 -5.1319 -0.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8071 -0.6792 0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 2 3 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 8 15 1 0 15 16 1 0 15 17 2 3 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 2 22 1 0 22 23 2 0 22 24 1 0 1 25 1 0 1 26 1 0 2 27 1 6 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 6 32 1 0 8 33 1 1 9 34 1 0 9 35 1 0 13 36 1 0 13 37 1 0 16 38 1 0 18 39 1 0 18 40 1 0 21 41 1 0 24 42 1 0 M END