HMDB0001550 RDKit 3D S-Formylglutathione 39 38 0 0 0 0 0 0 0 0999 V2000 -5.1313 0.8512 0.0221 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6042 -0.5343 -0.0675 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2286 -0.5350 -0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2267 0.2302 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9152 0.1229 -0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.4802 -1.5852 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3117 0.6453 0.0518 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4728 0.4019 -0.8257 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7985 1.8688 -1.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 2.8002 0.1987 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2494 4.5498 -0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2933 5.0436 -0.4615 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6372 -0.1334 -0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6655 0.6029 0.0331 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6422 -1.4597 0.2964 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8296 -2.0262 0.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8364 -2.1631 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5106 -1.9272 -1.3631 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1310 -2.5540 0.1182 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7316 -1.2295 1.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 -0.6532 2.2175 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3376 -2.5344 1.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0943 1.1991 -0.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1333 0.7795 0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2677 -1.0694 -0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8899 -1.5934 -0.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1954 -0.1067 -1.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1595 -0.1966 1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4998 1.3067 0.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3833 1.1473 0.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1718 -0.1719 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9701 2.2395 -1.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7076 1.8301 -1.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 5.1551 0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -2.1035 0.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6409 -2.9861 1.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1616 -1.2452 1.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9454 -1.9297 -0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1938 -3.1414 0.4804 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 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 8 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 2 20 1 0 20 21 2 0 20 22 1 0 1 23 1 0 1 24 1 0 2 25 1 6 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 7 30 1 0 8 31 1 6 9 32 1 0 9 33 1 0 11 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 19 38 1 0 22 39 1 0 M END