HMDB0037166 RDKit 3D 2-(Methylthiomethyl)-3-phenyl-2-propenal 25 25 0 0 0 0 0 0 0 0999 V2000 4.1413 0.3801 0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4889 -0.4323 -0.9351 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1496 -1.5596 -0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -0.7669 -0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9715 -0.0811 1.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 0.4958 1.5941 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1556 -0.7988 -0.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3585 -0.0946 -0.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4146 1.2859 -0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6047 1.8741 -0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7670 1.1545 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7456 -0.2216 -0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5475 -0.8104 -0.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5911 1.2889 0.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1591 -0.3528 1.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1912 0.7513 0.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3673 -2.2214 0.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 -2.1974 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8754 -0.0211 1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1151 -1.4341 -1.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5159 1.8650 -0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6089 2.9572 -0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6948 1.6639 0.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6478 -0.8234 0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5485 -1.9011 -0.4071 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 2 0 4 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 0 3 18 1 0 5 19 1 0 7 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 M END