KEGG:C08424 Neoglucobrassicin ISISHOST03240423202D 1 1.00000 0.00000 7464 31 33 0 0 0 999 V2000 -1.3379 1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3207 2.4897 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5310 1.3621 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0793 1.2241 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5103 2.7414 0.0000 N 0 0 3 0 0 0 0 0 0 -2.0552 2.9310 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0138 2.0448 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5276 0.5069 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8103 1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5103 3.5931 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7966 2.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0.2069 0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0.2345 4.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0.2000 -0.7000 0.0000 S 0 0 0 0 0 0 0 0 0 0.8759 0.4690 0.0000 N 0 0 0 0 0 0 0 0 0 0.2138 -1.5414 0.0000 C 0 0 2 0 0 0 0 0 0 1.5448 0.8621 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4621 -1.9276 0.0000 O 0 0 0 0 0 0 0 0 0 0.8828 -1.9310 0.0000 C 0 0 1 0 0 0 0 0 0 2.2724 0.3172 0.0000 S 0 0 3 0 0 0 0 0 0 -0.4621 -2.7069 0.0000 C 0 0 1 0 0 0 0 0 0 0.8793 -2.7103 0.0000 C 0 0 2 0 0 0 0 0 0 1.5517 -1.5483 0.0000 O 0 0 0 0 0 0 0 0 0 2.9000 1.0276 0.0000 O 0 0 0 0 0 0 0 0 0 1.6276 -0.3586 0.0000 O 0 0 0 0 0 0 0 0 0 3.0310 -0.1586 0.0000 O 0 5 0 0 0 0 0 0 0 0.2069 -3.0931 0.0000 C 0 0 2 0 0 0 0 0 0 -1.1379 -3.1034 0.0000 C 0 0 0 0 0 0 0 0 0 1.5483 -3.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0.2000 -3.8759 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8172 -2.7241 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 3 8 1 0 0 0 4 9 2 0 0 0 5 10 1 0 0 0 6 11 2 0 0 0 8 12 1 0 0 0 10 13 1 0 0 0 12 14 1 0 0 0 12 15 2 0 0 0 16 14 1 1 0 0 15 17 1 0 0 0 16 18 1 0 0 0 16 19 1 0 0 0 17 20 1 0 0 0 18 21 1 0 0 0 19 22 1 0 0 0 19 23 1 6 0 0 20 24 2 0 0 0 20 25 2 0 0 0 20 26 1 0 0 0 21 27 1 0 0 0 21 28 1 1 0 0 22 29 1 1 0 0 27 30 1 6 0 0 28 31 1 0 0 0 5 7 1 0 0 0 9 11 1 0 0 0 22 27 1 0 0 0 M CHG 1 26 -1 M END