KEGG:C08417 Gluconasturtiin ISISHOST03240423202D 1 1.00000 0.00000 7458 27 28 0 0 0 999 V2000 0.3621 -0.7828 0.0000 C 0 0 2 0 0 0 0 0 0 0.3517 0.0586 0.0000 S 0 0 0 0 0 0 0 0 0 -0.3172 -1.1759 0.0000 O 0 0 0 0 0 0 0 0 0 1.0345 -1.1793 0.0000 C 0 0 1 0 0 0 0 0 0 0.3586 0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3172 -1.9552 0.0000 C 0 0 1 0 0 0 0 0 0 1.0310 -1.9586 0.0000 C 0 0 2 0 0 0 0 0 0 1.7103 -0.7897 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3862 1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 1.0276 1.2379 0.0000 N 0 0 0 0 0 0 0 0 0 0.3586 -2.3483 0.0000 C 0 0 2 0 0 0 0 0 0 -0.9897 -2.3586 0.0000 C 0 0 0 0 0 0 0 0 0 1.7069 -2.3552 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1276 0.8483 0.0000 C 0 0 0 0 0 0 0 0 0 1.7035 1.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0.3517 -3.1310 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6759 -1.9759 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8690 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 2.4345 1.0793 0.0000 S 0 0 3 0 0 0 0 0 0 -2.6103 0.8517 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8690 2.1379 0.0000 C 0 0 0 0 0 0 0 0 0 3.0690 1.7966 0.0000 O 0 0 0 0 0 0 0 0 0 1.7862 0.4034 0.0000 O 0 0 0 0 0 0 0 0 0 3.1966 0.6000 0.0000 O 0 5 0 0 0 0 0 0 0 -3.3552 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6138 2.5655 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3552 2.1345 0.0000 C 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 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 2 0 0 0 6 11 1 0 0 0 6 12 1 1 0 0 7 13 1 1 0 0 9 14 1 0 0 0 10 15 1 0 0 0 11 16 1 6 0 0 12 17 1 0 0 0 14 18 1 0 0 0 15 19 1 0 0 0 18 20 2 0 0 0 18 21 1 0 0 0 19 22 2 0 0 0 19 23 2 0 0 0 19 24 1 0 0 0 20 25 1 0 0 0 21 26 2 0 0 0 25 27 2 0 0 0 7 11 1 0 0 0 26 27 1 0 0 0 M CHG 1 24 -1 M END