HMDB0037154 RDKit 3D 2,6-Dimethyl-3-[(2-methyl-3-furanyl)thio]-4-heptanone 39 39 0 0 0 0 0 0 0 0999 V2000 4.3008 -0.8243 1.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2936 -1.7728 0.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2728 -3.0567 1.0146 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 -3.6681 0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5839 -2.7109 -0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2244 -1.4999 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8098 0.1033 -0.7566 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7072 1.0392 0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6223 0.4596 0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9579 0.0650 1.6256 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6008 0.2973 -0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8408 -0.4615 -0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 -1.8300 0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8274 -0.6114 -1.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6259 2.4542 -0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1402 2.6388 -1.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2923 3.2963 0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6763 -0.1933 0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -1.3670 1.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9038 -0.2223 2.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0522 -4.7339 0.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 -2.8620 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2219 1.1263 1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1951 -0.3108 -1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9307 1.2626 -1.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2398 0.1165 0.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2529 -2.5438 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5129 -2.2014 -0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 -1.8578 1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4717 -1.4972 -1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4979 0.2744 -1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2993 -0.7487 -2.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6323 2.9645 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8137 3.2098 -1.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8849 3.2811 -2.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0611 1.7263 -2.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1506 4.3470 0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3511 3.0282 0.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0267 3.2837 1.7943 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 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 8 15 1 0 15 16 1 0 15 17 1 0 6 2 2 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 5 22 1 0 8 23 1 0 11 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 13 28 1 0 13 29 1 0 14 30 1 0 14 31 1 0 14 32 1 0 15 33 1 0 16 34 1 0 16 35 1 0 16 36 1 0 17 37 1 0 17 38 1 0 17 39 1 0 M END