KEGG:C08540 Betanin ISISHOST03240423202D 1 1.00000 0.00000 7580 39 42 0 0 0 999 V2000 0.0448 0.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0.0517 0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0.8276 -0.1483 0.0000 N 0 3 0 0 0 0 0 0 0 -0.6759 -0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0.8379 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6586 1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 1.3207 0.5172 0.0000 C 0 0 1 0 0 0 0 0 0 0.8276 -0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3828 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3759 0.9483 0.0000 C 0 0 0 0 0 0 0 0 0 2.1483 0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 1.5448 -1.3966 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1034 -0.2793 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0862 1.3724 0.0000 O 0 0 0 0 0 0 0 0 0 2.5621 1.2379 0.0000 O 0 0 0 0 0 0 0 0 0 2.5621 -0.2000 0.0000 O 0 5 0 0 0 0 0 0 0 1.5448 -2.2276 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0828 2.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0.8241 -2.6379 0.0000 C 0 0 0 0 0 0 0 0 0 2.2621 -2.6379 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3690 2.6138 0.0000 O 0 0 0 0 0 0 0 0 0 -2.8034 2.6138 0.0000 C 0 0 1 0 0 0 0 0 0 0.8241 -3.4690 0.0000 C 0 0 2 0 0 0 0 0 0 2.2621 -3.4690 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3690 3.4414 0.0000 C 0 0 1 0 0 0 0 0 0 -2.8034 3.4379 0.0000 C 0 0 2 0 0 0 0 0 0 -3.5241 2.1966 0.0000 O 0 0 0 0 0 0 0 0 0 1.5448 -3.8862 0.0000 N 0 0 0 0 0 0 0 0 0 0.1069 -3.8862 0.0000 C 0 0 0 0 0 0 0 0 0 2.9793 -3.8862 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0862 3.8586 0.0000 C 0 0 2 0 0 0 0 0 0 -0.6517 3.8586 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5241 3.8552 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6138 -3.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0.1069 -4.7138 0.0000 O 0 0 0 0 0 0 0 0 0 2.9793 -4.7138 0.0000 O 0 0 0 0 0 0 0 0 0 3.7000 -3.4690 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0862 4.6828 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6552 4.6897 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 1 0 0 0 3 8 2 0 0 0 4 9 2 0 0 0 6 10 2 0 0 0 7 11 1 1 0 0 8 12 1 0 0 0 9 13 1 0 0 0 10 14 1 0 0 0 11 15 2 0 0 0 11 16 1 0 0 0 12 17 2 0 0 0 18 14 1 1 0 0 17 19 1 0 0 0 17 20 1 0 0 0 18 21 1 0 0 0 18 22 1 0 0 0 19 23 1 0 0 0 20 24 2 0 0 0 21 25 1 0 0 0 22 26 1 0 0 0 22 27 1 6 0 0 23 28 1 0 0 0 23 29 1 6 0 0 24 30 1 0 0 0 25 31 1 0 0 0 25 32 1 1 0 0 26 33 1 1 0 0 29 34 1 0 0 0 29 35 2 0 0 0 30 36 1 0 0 0 30 37 2 0 0 0 31 38 1 6 0 0 32 39 1 0 0 0 5 7 1 0 0 0 9 10 1 0 0 0 24 28 1 0 0 0 26 31 1 0 0 0 M CHG 2 3 1 16 -1 M END