HMDB0037158 RDKit 3D 3-[(2-Methyl-3-furanyl)thio]-4-heptanone 33 33 0 0 0 0 0 0 0 0999 V2000 2.8879 1.5806 1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0848 1.7779 -0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8236 1.2751 -1.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6074 -0.1669 -0.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3948 -0.7480 0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4349 -0.8555 -1.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4278 -2.2936 -0.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7339 -3.0622 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1028 0.0019 -1.1226 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6859 0.1509 0.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1165 -0.2974 1.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9547 0.0606 2.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9499 0.6791 2.1927 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8586 0.7708 0.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 1.4344 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 1.3230 1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1173 2.5221 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5513 0.7490 1.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9372 1.1714 -0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2110 2.8523 -0.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8741 1.4651 -2.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9479 1.8335 -0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6565 -0.8879 -2.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4957 -2.4580 0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3607 -2.7537 -1.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7025 -2.5273 -1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -4.0163 -0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5553 -3.3774 -2.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1803 -0.8374 1.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8142 -0.1360 3.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6675 2.5231 -0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8481 1.3064 0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8127 0.9402 -0.9718 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 14 10 2 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 8 28 1 0 11 29 1 0 12 30 1 0 15 31 1 0 15 32 1 0 15 33 1 0 M END