KEGG:C08422 4-Hydroxyglucobrassicin ISISHOST03240423202D 1 1.00000 0.00000 7462 30 32 0 0 0 999 V2000 -1.2759 1.8690 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4724 1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2586 2.7241 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0172 1.4586 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4724 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0.0448 2.2759 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4483 2.9759 0.0000 N 0 0 0 0 0 0 0 0 0 -1.9931 3.1586 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7483 1.8931 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0241 0.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0.2621 0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7379 2.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0.2586 -0.4517 0.0000 S 0 0 0 0 0 0 0 0 0 0.9345 0.7138 0.0000 N 0 0 0 0 0 0 0 0 0 0.2724 -1.2931 0.0000 C 0 0 2 0 0 0 0 0 0 1.6069 1.1103 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4034 -1.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0.9414 -1.6862 0.0000 C 0 0 1 0 0 0 0 0 0 2.3345 0.5621 0.0000 S 0 0 3 0 0 0 0 0 0 -0.4034 -2.4552 0.0000 C 0 0 1 0 0 0 0 0 0 0.9414 -2.4586 0.0000 C 0 0 2 0 0 0 0 0 0 1.6138 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 2.9621 1.2724 0.0000 O 0 0 0 0 0 0 0 0 0 1.6897 -0.1103 0.0000 O 0 0 0 0 0 0 0 0 0 3.0897 0.0862 0.0000 O 0 5 0 0 0 0 0 0 0 0.2655 -2.8483 0.0000 C 0 0 2 0 0 0 0 0 0 -1.0759 -2.8586 0.0000 C 0 0 0 0 0 0 0 0 0 1.6103 -2.8552 0.0000 O 0 0 0 0 0 0 0 0 0 0.2586 -3.6241 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7552 -2.4759 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 4 9 2 0 0 0 4 10 1 0 0 0 5 11 1 0 0 0 8 12 2 0 0 0 11 13 1 0 0 0 11 14 2 0 0 0 15 13 1 1 0 0 14 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 16 19 1 0 0 0 17 20 1 0 0 0 18 21 1 0 0 0 18 22 1 6 0 0 19 23 2 0 0 0 19 24 2 0 0 0 19 25 1 0 0 0 20 26 1 0 0 0 20 27 1 1 0 0 21 28 1 1 0 0 26 29 1 6 0 0 27 30 1 0 0 0 6 7 1 0 0 0 9 12 1 0 0 0 21 26 1 0 0 0 M CHG 1 25 -1 M END