HMDB0062624 RDKit 3D (R)-S-lactoylglutathionate(1-) 46 45 0 0 0 0 0 0 0 0999 V2000 -4.6396 -2.8097 -0.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8887 -1.7251 -1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5313 -1.9130 -1.1382 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3198 -0.4303 -0.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5263 -0.1211 -0.8173 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1695 0.7146 -0.0115 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4699 0.1043 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6265 1.1868 0.6612 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7467 0.8664 0.7636 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2922 -0.0898 1.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -1.0216 2.0963 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7632 -0.2273 1.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 -1.5416 0.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7154 -1.6341 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3286 -0.5914 -0.0271 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1461 -2.9451 0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 -3.0121 -0.7933 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6946 -4.1194 0.7392 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7491 2.4603 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 3.6088 0.2447 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4878 2.4812 -1.1685 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 3.6977 -1.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2401 4.7780 -1.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4215 5.9055 -1.6403 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 4.5083 0.1845 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0834 -3.1615 0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7867 -3.6642 -1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5990 -2.3971 -0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1212 -1.8217 -2.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3551 -2.7770 -0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1608 -0.0531 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3764 -0.8543 0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0469 1.3858 1.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8324 -1.9806 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1850 -0.2288 2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1763 0.6114 0.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8261 -1.5965 -0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7912 -2.3662 1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0920 -1.5565 1.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8998 -0.3998 -0.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4806 0.2909 0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5395 -4.1380 1.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2727 3.7962 1.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 3.4590 -2.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6325 4.0838 -2.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6153 5.2379 0.8838 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 2 3 10 11 1 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 1 0 19 21 2 3 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 0 3 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 18 42 1 0 20 43 1 0 22 44 1 0 22 45 1 0 25 46 1 0 M END