KEGG:C08403 Glucobrassicanapin ISISHOST03240423202D 1 1.00000 0.00000 7444 24 24 0 0 0 999 V2000 0.0345 -0.5034 0.0000 C 0 0 2 0 0 0 0 0 0 -0.6448 -0.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0.7138 -0.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0.0241 0.3483 0.0000 S 0 0 0 0 0 0 0 0 0 -0.6448 -1.6759 0.0000 C 0 0 1 0 0 0 0 0 0 0.7103 -1.6793 0.0000 C 0 0 2 0 0 0 0 0 0 1.3897 -0.5103 0.0000 O 0 0 0 0 0 0 0 0 0 0.0310 1.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0.0310 -2.0759 0.0000 C 0 0 2 0 0 0 0 0 0 -1.3276 -2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 1.3862 -2.0828 0.0000 O 0 0 0 0 0 0 0 0 0 0.7069 1.5310 0.0000 N 0 0 0 0 0 0 0 0 0 -0.7138 1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0.0241 -2.8586 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0103 -1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 1.3828 1.9276 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4586 1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 2.1207 1.3724 0.0000 S 0 0 3 0 0 0 0 0 0 -2.2103 1.5690 0.0000 C 0 0 0 0 0 0 0 0 0 2.7552 2.0931 0.0000 O 0 0 0 0 0 0 0 0 0 1.4690 0.6931 0.0000 O 0 0 0 0 0 0 0 0 0 2.8862 0.8931 0.0000 O 0 5 0 0 0 0 0 0 0 -2.9552 1.1379 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7000 1.5724 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 1 0 0 2 5 1 0 0 0 3 6 1 0 0 0 3 7 1 6 0 0 4 8 1 0 0 0 5 9 1 0 0 0 5 10 1 1 0 0 6 11 1 1 0 0 8 12 2 0 0 0 8 13 1 0 0 0 9 14 1 6 0 0 10 15 1 0 0 0 12 16 1 0 0 0 13 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 1 0 0 0 23 24 2 0 0 0 6 9 1 0 0 0 M CHG 1 22 -1 M END