HMDB0032426 RDKit 3D (+/-)-3-(Methylthio)heptanal 26 25 0 0 0 0 0 0 0 0999 V2000 3.2278 0.7560 -1.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 0.0997 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2477 0.2759 0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4352 -0.3013 -0.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0352 -0.1650 -0.5449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5536 -0.8394 0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 -2.2896 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1256 -2.7119 0.8709 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6028 1.5506 -0.5847 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3999 1.5495 -0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7777 0.0275 -1.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4604 1.2544 -1.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9905 1.5498 -0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2842 0.4893 1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9396 -0.9935 0.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0331 -0.1935 1.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0035 1.3525 0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7195 0.2035 -1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6845 -1.3657 -0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -0.6767 -1.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0808 -0.4596 1.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 -0.7136 0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -2.9745 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9151 2.2582 -1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8383 0.5431 -0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5826 1.7743 0.7160 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 6 7 1 0 7 8 2 0 5 9 1 0 9 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 M END