HMDB0001066 RDKit 3D S-Lactoylglutathione 46 45 0 0 0 0 0 0 0 0999 V2000 -5.1401 -2.7183 -0.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1777 -2.1398 0.4267 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7015 -3.0347 1.3452 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8264 -1.7031 0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3826 -2.1568 1.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8508 -0.5565 -0.0731 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2839 -0.2753 0.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3642 0.6894 0.0550 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8388 0.7671 0.8876 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1002 0.3102 0.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1788 -0.1736 -0.7409 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3105 0.3803 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5498 -0.1557 0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5097 -1.6190 0.2558 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2602 -2.4588 1.4097 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 -1.9471 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5310 -2.8287 0.3099 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3651 -1.3019 -1.3676 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9334 2.0174 -0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4191 3.0518 0.3797 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0387 2.2368 -1.0027 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6164 3.5495 -1.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5638 4.4227 -1.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4195 3.9829 -2.0841 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8382 5.7400 -2.1984 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9179 -3.8065 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1058 -2.5426 -1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3535 -2.2164 -1.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8650 -1.2604 0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9931 -2.5040 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2420 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 0.0303 1.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 0.2451 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7984 1.1617 1.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1373 -0.0796 2.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5052 1.4628 1.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3622 -0.0629 1.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8847 0.4725 -0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7406 -1.8658 -0.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9047 -3.2846 1.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 -1.9339 2.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2298 -1.6778 -2.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4934 1.4400 -1.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 4.0305 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4446 3.4849 -1.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 6.0701 -3.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 2 0 16 18 1 0 8 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 6 3 30 1 0 7 31 1 0 7 32 1 0 8 33 1 6 9 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 14 39 1 6 15 40 1 0 15 41 1 0 18 42 1 0 21 43 1 0 22 44 1 0 22 45 1 0 25 46 1 0 M END