KEGG:C08423 4-Methoxyglucobrassicin ISISHOST03240423202D 1 1.00000 0.00000 7463 31 33 0 0 0 999 V2000 -1.1828 1.8724 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3793 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1690 2.7276 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9276 1.4586 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3724 0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0.1345 2.2793 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3552 2.9759 0.0000 N 0 0 0 0 0 0 0 0 0 -1.9000 3.1621 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6586 1.8966 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9345 0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0.3552 0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6483 2.7483 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6793 0.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0.3483 -0.4621 0.0000 S 0 0 0 0 0 0 0 0 0 1.0207 0.7034 0.0000 N 0 0 0 0 0 0 0 0 0 0.3586 -1.3035 0.0000 C 0 0 2 0 0 0 0 0 0 1.6931 1.1000 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3172 -1.6931 0.0000 O 0 0 0 0 0 0 0 0 0 1.0345 -1.6965 0.0000 C 0 0 1 0 0 0 0 0 0 2.4207 0.5517 0.0000 S 0 0 3 0 0 0 0 0 0 -0.3172 -2.4655 0.0000 C 0 0 1 0 0 0 0 0 0 1.0241 -2.4690 0.0000 C 0 0 2 0 0 0 0 0 0 1.7000 -1.3103 0.0000 O 0 0 0 0 0 0 0 0 0 3.0517 1.2621 0.0000 O 0 0 0 0 0 0 0 0 0 1.7759 -0.1207 0.0000 O 0 0 0 0 0 0 0 0 0 3.1793 0.0759 0.0000 O 0 5 0 0 0 0 0 0 0 0.3552 -2.8586 0.0000 C 0 0 2 0 0 0 0 0 0 -0.9897 -2.8690 0.0000 C 0 0 0 0 0 0 0 0 0 1.6965 -2.8655 0.0000 O 0 0 0 0 0 0 0 0 0 0.3483 -3.6345 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6655 -2.4897 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 10 13 1 0 0 0 11 14 1 0 0 0 11 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 6 7 1 0 0 0 9 12 1 0 0 0 22 27 1 0 0 0 M CHG 1 26 -1 M END