HMDB0240343 RDKit 3D N-Acetylmethionine sulfoxide 26 25 0 0 0 0 0 0 0 0999 V2000 4.0184 0.7548 -1.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6783 1.0910 -1.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1345 2.1589 -1.4339 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0212 0.1984 -0.2223 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 0.5351 0.3127 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2464 -0.5246 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6429 -0.3059 0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6910 -1.6135 -0.3491 S 0 0 0 0 0 4 0 0 0 0 0 0 -4.3929 -1.4218 0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5502 -1.7729 -1.8401 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 0.6216 1.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 0.3906 2.3498 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2621 0.9495 2.5799 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9742 -0.2871 -2.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2636 1.4314 -2.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7874 0.8856 -0.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4475 -0.6943 0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 1.5338 -0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1777 -0.5539 -1.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1691 -1.5105 0.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9951 0.6991 0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6712 -0.4365 1.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 -0.3999 0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0098 -2.1834 -0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4409 -1.6452 1.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4377 0.3919 3.4225 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 2 0 5 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 4 17 1 0 5 18 1 6 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 9 23 1 0 9 24 1 0 9 25 1 0 13 26 1 0 M END