KEGG:C04273 (S)-Mandelonitrile beta-D-glucoside ISISHOST03240423102D 1 1.00000 0.00000 3704 22 23 0 1 0 999 V2000 -0.5586 0.6103 0.0000 C 0 0 2 0 0 0 0 0 0 0.5103 1.0724 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2138 0.9828 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5586 -0.1483 0.0000 C 0 0 1 0 0 0 0 0 0 1.4966 0.5621 0.0000 C 0 0 1 0 0 0 0 0 0 -1.8655 0.6103 0.0000 C 0 0 1 0 0 0 0 0 0 -1.2138 -0.5345 0.0000 C 0 0 2 0 0 0 0 0 0 0.0931 -0.5241 0.0000 O 0 0 0 0 0 0 0 0 0 1.4966 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 2.1448 0.9414 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8655 -0.1483 0.0000 C 0 0 2 0 0 0 0 0 0 -2.5138 0.9828 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2172 -1.2828 0.0000 O 0 0 0 0 0 0 0 0 0 0.8483 -0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 2.1552 -0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 2.7931 1.3172 0.0000 N 0 0 0 0 0 0 0 0 0 -2.5172 -0.5207 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5138 1.7345 0.0000 O 0 0 0 0 0 0 0 0 0 0.8483 -1.3207 0.0000 C 0 0 0 0 0 0 0 0 0 2.1552 -1.3207 0.0000 C 0 0 0 0 0 0 0 0 0 1.4966 -1.7035 0.0000 C 0 0 0 0 0 0 0 0 0 1.4931 1.3172 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 1 3 1 0 0 0 1 4 1 0 0 0 5 2 1 6 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 1 6 0 0 5 9 1 0 0 0 5 10 1 0 0 0 6 11 1 0 0 0 6 12 1 1 0 0 7 13 1 1 0 0 9 14 2 0 0 0 9 15 1 0 0 0 10 16 3 0 0 0 11 17 1 6 0 0 12 18 1 0 0 0 14 19 1 0 0 0 15 20 2 0 0 0 19 21 2 0 0 0 7 11 1 0 0 0 20 21 1 0 0 0 5 22 1 1 0 0 M END