HMDB0244400 RDKit 3D 3-Cyclohexyl-1-propylsulfonic acid 33 33 0 0 0 0 0 0 0 0999 V2000 -5.0257 -0.6789 -0.4261 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7026 0.6494 0.2085 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.7664 1.1091 1.1334 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4862 1.7884 -0.9875 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1604 0.3989 1.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1164 -0.0906 0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8027 -0.3092 0.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -0.7749 -0.1046 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4735 -1.0367 0.4548 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 0.2518 0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2109 1.2013 -0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3611 0.5810 -1.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -0.6590 -1.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3728 -1.6364 -0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1193 2.6098 -0.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3542 -0.3737 1.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8732 1.3766 1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5029 -1.0206 -0.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0179 0.6950 -0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4698 0.6794 1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -0.9618 1.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2056 -1.5901 -0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4195 -1.7565 1.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0852 0.0419 1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4669 0.6835 1.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3036 1.1074 -0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 2.2237 0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7995 1.2755 -1.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1031 0.1973 -0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8656 -0.3186 -2.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -1.1493 -2.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8365 -2.5033 -1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3171 -2.0102 -0.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 9 1 0 4 15 1 0 5 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 M END