HMDB0258624 RDKit 3D Sultosilic acid 34 35 0 0 0 0 0 0 0 0999 V2000 -6.0374 1.4051 0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7299 0.6939 0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5274 -0.3042 -0.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3068 -0.9625 -0.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2572 -0.6490 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7084 -1.4723 -0.0549 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.0519 -1.5119 1.3027 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8689 -2.8733 -0.5787 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3168 -0.6526 -1.1393 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6805 -0.6917 -0.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5141 -1.6714 -1.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8619 -1.6717 -1.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3922 -0.6723 -0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7450 -0.6253 0.0162 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5813 0.3171 0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 1.5921 1.2157 S 0 0 0 0 0 6 0 0 0 0 0 0 4.8062 1.0648 2.4915 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1312 2.5503 1.5872 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 2.4381 0.3471 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2378 0.2835 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4643 0.3514 0.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6807 1.0053 1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5688 1.4527 -0.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6754 0.8972 1.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8317 2.4312 0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3541 -0.5528 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 -1.7452 -1.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0977 -2.4443 -1.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5497 -2.4202 -1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3472 -1.3621 -0.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2286 2.3210 -0.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5763 1.0638 0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6386 0.6149 1.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8327 1.8005 1.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 2 0 6 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 2 0 16 18 2 0 16 19 1 0 15 20 2 0 5 21 1 0 21 22 2 0 22 2 1 0 20 10 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 4 27 1 0 11 28 1 0 12 29 1 0 14 30 1 0 19 31 1 0 20 32 1 0 21 33 1 0 22 34 1 0 M END