HMDB0260378 RDKit 3D N-[(2R)-6,7-Dihydroxy-3-oxo-1-sulfanylheptan-2-yl]acetamide 32 31 0 0 0 0 0 0 0 0999 V2000 -4.0688 -2.9912 -0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7369 -2.4479 -1.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8909 -3.2130 -1.6949 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4608 -1.0977 -0.8418 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1689 -0.4582 -1.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5003 0.6576 -2.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 1.5294 -2.5980 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4908 -0.0571 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1061 -0.3234 1.1512 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8381 0.6189 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2099 0.7161 1.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4898 1.3720 1.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6213 1.3478 3.3546 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7268 0.8399 1.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7072 0.8462 -0.0378 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5154 -2.4158 0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 -4.0598 -0.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7318 -2.8448 -1.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1679 -0.5014 -0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -1.2530 -1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2346 1.3376 -1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 0.1855 -2.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 2.9161 -2.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 0.0329 -0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7242 1.6617 -0.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 1.1850 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2188 -0.3522 1.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4175 2.4653 1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5296 1.0653 3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0605 -0.1320 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5573 1.5550 1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7672 1.8152 -0.3130 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 5 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 10 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 14 31 1 0 15 32 1 0 M END