KEGG:C08428 (N-Sulfoindol-3-yl)methylglucosinolate ISISHOST03240423202D 1 1.00000 0.00000 7468 33 35 0 0 0 999 V2000 -1.2414 1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2276 2.1828 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4345 1.0517 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9862 0.9138 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4138 2.4345 0.0000 N 0 0 3 0 0 0 0 0 0 -1.9586 2.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0.0759 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4345 0.2862 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7172 1.3517 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4138 3.2862 0.0000 S 0 0 3 0 0 0 0 0 0 -2.7034 2.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0.2310 -0.1034 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4172 4.1414 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2724 3.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0.4414 3.2862 0.0000 O 0 5 0 0 0 0 0 0 0 0.2241 -0.8759 0.0000 S 0 0 0 0 0 0 0 0 0 0.9000 0.2931 0.0000 N 0 0 0 0 0 0 0 0 0 0.2345 -1.7172 0.0000 C 0 0 2 0 0 0 0 0 0 1.5690 0.6862 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4414 -2.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0.9069 -2.1103 0.0000 C 0 0 1 0 0 0 0 0 0 2.2966 0.1379 0.0000 S 0 0 3 0 0 0 0 0 0 -0.4414 -2.8828 0.0000 C 0 0 1 0 0 0 0 0 0 0.9034 -2.8862 0.0000 C 0 0 2 0 0 0 0 0 0 1.5759 -1.7241 0.0000 O 0 0 0 0 0 0 0 0 0 2.9241 0.8483 0.0000 O 0 0 0 0 0 0 0 0 0 1.6483 -0.5345 0.0000 O 0 0 0 0 0 0 0 0 0 3.0552 -0.3379 0.0000 O 0 5 0 0 0 0 0 0 0 0.2310 -3.2759 0.0000 C 0 0 2 0 0 0 0 0 0 -1.1138 -3.2862 0.0000 C 0 0 0 0 0 0 0 0 0 1.5724 -3.2828 0.0000 O 0 0 0 0 0 0 0 0 0 0.2241 -4.0517 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7931 -2.9000 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 3 8 1 0 0 0 4 9 2 0 0 0 5 10 1 0 0 0 6 11 2 0 0 0 8 12 1 0 0 0 10 13 2 0 0 0 10 14 2 0 0 0 10 15 1 0 0 0 12 16 1 0 0 0 12 17 2 0 0 0 18 16 1 1 0 0 17 19 1 0 0 0 18 20 1 0 0 0 18 21 1 0 0 0 19 22 1 0 0 0 20 23 1 0 0 0 21 24 1 0 0 0 21 25 1 6 0 0 22 26 2 0 0 0 22 27 2 0 0 0 22 28 1 0 0 0 23 29 1 0 0 0 23 30 1 1 0 0 24 31 1 1 0 0 29 32 1 6 0 0 30 33 1 0 0 0 5 7 1 0 0 0 9 11 1 0 0 0 24 29 1 0 0 0 M CHG 2 15 -1 28 -1 M END