HMDB0032372 RDKit 3D 3-Mercaptoheptyl acetate 30 29 0 0 0 0 0 0 0 0999 V2000 -1.8987 2.4017 0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2649 1.3334 1.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1593 -0.0366 0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7253 -0.2775 0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6174 -1.6587 -0.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0679 -2.9065 0.8313 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7221 -1.9717 -0.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8592 -1.9168 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1252 -0.6973 0.5832 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4615 0.4691 -0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7405 1.7580 0.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5211 0.3807 -1.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9587 2.9031 0.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6936 2.0457 -0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 3.1830 0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3149 1.4918 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6402 1.4066 2.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4337 -0.8024 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7959 -0.0745 -0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0699 -0.2314 1.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3975 0.4946 -0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4225 -1.7407 -1.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6827 -2.4152 2.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6657 -3.0420 -1.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8893 -1.3920 -1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7533 -2.3859 -0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6094 -2.6325 0.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8502 2.4082 0.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5175 2.2736 -0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1407 1.6321 1.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 2 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 11 28 1 0 11 29 1 0 11 30 1 0 M END