HMDB0060011 RDKit 3D N-acetyl-S-(N-allylthiocarbamoyl)-L-cysteine 30 29 0 0 0 0 0 0 0 0999 V2000 5.5487 1.1875 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -0.0054 0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7706 -0.2160 -0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6757 -0.6828 0.4876 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4106 -0.9307 -0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3225 -0.6691 -1.7873 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0268 -1.5109 0.7301 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4907 -1.7226 -0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1947 -0.4768 -0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 0.4347 0.4640 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7727 0.6311 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1348 1.5529 2.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7101 -0.0094 0.4079 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7074 0.1031 -1.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3725 1.3098 -1.9516 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5865 -0.6597 -3.0361 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0869 2.0047 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4652 1.4167 1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4614 -0.8201 1.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4687 0.7163 -0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0235 -0.9768 -1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7577 -0.8474 1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3411 -2.3411 -1.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2618 -2.3077 0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2432 -0.8831 -0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7023 0.9920 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2059 2.0549 2.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8945 2.2841 1.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6042 0.9437 2.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -0.5720 -3.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 2 0 9 14 1 0 14 15 2 0 14 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 10 26 1 0 12 27 1 0 12 28 1 0 12 29 1 0 16 30 1 0 M END