KEGG:C08409 Glucoerucin ISISHOST03240423202D 1 1.00000 0.00000 7450 25 25 0 0 0 999 V2000 0.2138 -0.5483 0.0000 C 0 0 1 0 0 0 0 0 0 -0.4655 -0.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0.2034 0.3034 0.0000 S 0 0 0 0 0 0 0 0 0 0.8897 -0.9448 0.0000 C 0 0 1 0 0 0 0 0 0 -0.4655 -1.7241 0.0000 C 0 0 1 0 0 0 0 0 0 0.2069 1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0.8862 -1.7276 0.0000 C 0 0 2 0 0 0 0 0 0 1.5690 -0.5552 0.0000 O 0 0 0 0 0 0 0 0 0 0.2103 -2.1207 0.0000 C 0 0 2 0 0 0 0 0 0 -1.1483 -2.1310 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5379 1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0.8828 1.4862 0.0000 N 0 0 0 0 0 0 0 0 0 1.5655 -2.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0.2034 -2.9035 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8345 -1.7448 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2828 1.0897 0.0000 C 0 0 0 0 0 0 0 0 0 1.5621 1.8828 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0310 1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 2.3000 1.3276 0.0000 S 0 0 3 0 0 0 0 0 0 -2.7793 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 2.9345 2.0483 0.0000 O 0 0 0 0 0 0 0 0 0 1.6448 0.6483 0.0000 O 0 0 0 0 0 0 0 0 0 3.0621 0.8483 0.0000 O 0 5 0 0 0 0 0 0 0 -3.5241 1.5241 0.0000 S 0 0 0 0 0 0 0 0 0 -4.2724 1.0897 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 1 0 0 0 6 12 2 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 1 0 0 0 19 21 2 0 0 0 19 22 2 0 0 0 19 23 1 0 0 0 20 24 1 0 0 0 24 25 1 0 0 0 7 9 1 0 0 0 M CHG 1 23 -1 M END