KEGG:C08411 Glucoiberin ISISHOST03240423202D 1 1.00000 0.00000 7452 25 25 0 0 0 999 V2000 0.1517 -0.5103 0.0000 C 0 0 1 0 0 0 0 0 0 -0.5241 -0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0.1414 0.3345 0.0000 S 0 0 0 0 0 0 0 0 0 0.8276 -0.9034 0.0000 C 0 0 1 0 0 0 0 0 0 -0.5241 -1.6828 0.0000 C 0 0 1 0 0 0 0 0 0 0.1483 1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0.8241 -1.6862 0.0000 C 0 0 2 0 0 0 0 0 0 1.5000 -0.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0.1483 -2.0759 0.0000 C 0 0 2 0 0 0 0 0 0 -1.2034 -2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0.8207 1.5103 0.0000 N 0 0 0 0 0 0 0 0 0 -0.5931 1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 1.4966 -2.0828 0.0000 O 0 0 0 0 0 0 0 0 0 0.1414 -2.8552 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8828 -1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 1.4931 1.9069 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3345 1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 2.2241 1.3586 0.0000 S 0 0 3 0 0 0 0 0 0 -2.0759 1.5414 0.0000 C 0 0 0 0 0 0 0 0 0 2.8621 2.0724 0.0000 O 0 0 0 0 0 0 0 0 0 1.5759 0.6793 0.0000 O 0 0 0 0 0 0 0 0 0 2.9897 0.8759 0.0000 O 0 5 0 0 0 0 0 0 0 -2.8241 1.1207 0.0000 S 0 0 3 0 0 0 0 0 0 -3.5655 1.5586 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8138 0.2621 0.0000 O 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 2 0 0 0 6 12 1 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 2 0 0 0 18 21 2 0 0 0 18 22 1 0 0 0 19 23 1 0 0 0 23 24 1 0 0 0 23 25 2 0 0 0 7 9 1 0 0 0 M CHG 1 22 -1 M END