HMDB0257426 RDKit 3D S-Pyruvylglutathione 44 43 0 0 0 0 0 0 0 0999 V2000 -3.7509 -3.1771 1.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2267 -2.2444 0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0405 -2.4392 -0.0156 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9898 -1.1870 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2071 -1.0874 0.1265 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3608 -0.0546 -1.4090 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6109 -0.0315 -1.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8516 0.5551 -0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5896 0.5137 -0.8150 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4753 -0.2199 0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0249 -0.8306 0.9992 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9254 -0.2807 -0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5872 -1.1397 0.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0674 -1.2922 0.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4733 -2.1685 1.7292 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 -1.9178 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -3.0425 -0.6781 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2665 -1.2346 -1.8485 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1819 2.0034 -0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2588 2.8684 -0.4701 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4505 2.4870 0.0637 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 3.8986 0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0558 4.2087 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9320 3.3154 0.7726 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4238 5.5208 0.8047 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6399 -2.7747 1.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9612 -3.3348 2.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9985 -4.1757 0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4133 0.6369 -2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 -1.0341 -1.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0668 -0.0159 0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 1.0490 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0928 -0.7263 -1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4032 0.7269 -0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1156 -2.1649 0.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3562 -0.7837 1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6100 -0.3402 0.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1068 -3.1192 1.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 -1.8290 2.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7763 -1.4622 -2.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2326 1.8349 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 4.4123 -0.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 4.2351 1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3760 5.8426 0.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 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 7 29 1 0 7 30 1 0 8 31 1 0 9 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 18 40 1 0 21 41 1 0 22 42 1 0 22 43 1 0 25 44 1 0 M END