KEGG:C08415 Gluconapin ISISHOST03240423202D 1 1.00000 0.00000 7456 23 23 0 0 0 999 V2000 -0.1276 -0.4379 0.0000 C 0 0 1 0 0 0 0 0 0 -0.8103 -0.8310 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1379 0.4172 0.0000 S 0 0 0 0 0 0 0 0 0 0.5552 -0.8345 0.0000 C 0 0 1 0 0 0 0 0 0 -0.8103 -1.6207 0.0000 C 0 0 1 0 0 0 0 0 0 -0.1345 1.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0.5517 -1.6241 0.0000 C 0 0 2 0 0 0 0 0 0 1.2345 -0.4448 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1310 -2.0138 0.0000 C 0 0 2 0 0 0 0 0 0 -1.5000 -2.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0.5483 1.6035 0.0000 N 0 0 0 0 0 0 0 0 0 -0.8828 1.6345 0.0000 C 0 0 0 0 0 0 0 0 0 1.2310 -2.0207 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1379 -2.8069 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1828 -1.6379 0.0000 O 0 0 0 0 0 0 0 0 0 1.2276 2.0069 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6345 1.2103 0.0000 C 0 0 0 0 0 0 0 0 0 1.9655 1.4483 0.0000 S 0 0 3 0 0 0 0 0 0 -2.3828 1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 2.6034 2.1724 0.0000 O 0 0 0 0 0 0 0 0 0 1.3103 0.7655 0.0000 O 0 0 0 0 0 0 0 0 0 2.7414 0.9655 0.0000 O 0 5 0 0 0 0 0 0 0 -3.1000 1.2276 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 1 0 0 1 4 1 0 0 0 2 5 1 0 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 1 0 0 6 11 2 0 0 0 6 12 1 0 0 0 7 13 1 1 0 0 9 14 1 6 0 0 10 15 1 0 0 0 11 16 1 0 0 0 12 17 1 0 0 0 16 18 1 0 0 0 17 19 1 0 0 0 18 20 2 0 0 0 18 21 2 0 0 0 18 22 1 0 0 0 19 23 2 0 0 0 7 9 1 0 0 0 M CHG 1 22 -1 M END