HMDB0015276 RDKit 3D Sulfoxone 41 42 0 0 0 0 0 0 0 0999 V2000 6.5464 -1.5576 -3.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1056 -1.6047 -1.6308 S 0 0 0 0 0 4 0 0 0 0 0 0 8.0894 -0.2148 -1.4586 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 -1.4415 -0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9730 -0.2608 -0.8759 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7942 0.1687 -0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2912 -0.5499 0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1437 -0.1277 1.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4658 1.0146 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0211 1.5160 2.0261 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.0575 3.0277 2.0894 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2023 1.0553 3.4602 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4156 0.8430 1.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0966 1.5098 0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2607 0.9665 -0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7548 -0.2491 0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9440 -0.8025 -0.3441 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6372 -0.0912 -1.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0905 -0.9326 -1.9582 S 0 0 0 0 0 4 0 0 0 0 0 0 -6.7674 -2.2576 -2.6201 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2258 -1.1869 -0.7251 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0567 -0.9062 1.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9047 -0.3685 1.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9701 1.7317 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 1.3104 -0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7929 0.3423 -0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0885 -2.3633 -0.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1428 -1.3116 0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3075 0.3184 -1.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8215 -1.4532 1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 -0.7077 2.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7886 2.4626 -0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8123 1.4710 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3085 -1.7169 -0.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9582 0.0554 -2.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9534 0.8860 -0.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5307 -0.3354 -0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4307 -1.8746 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3408 -0.8690 2.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4636 2.6361 -0.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5271 1.8676 -1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 2 0 10 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 16 22 1 0 22 23 2 0 9 24 1 0 24 25 2 0 25 6 1 0 23 13 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 7 30 1 0 8 31 1 0 14 32 1 0 15 33 1 0 17 34 1 0 18 35 1 0 18 36 1 0 21 37 1 0 22 38 1 0 23 39 1 0 24 40 1 0 25 41 1 0 M END