KEGG:C08567 Prebetanin ISISHOST03240423202D 1 1.00000 0.00000 7607 43 46 0 0 0 999 V2000 0.0207 -0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0.7828 -0.6241 0.0000 N 0 3 0 0 0 0 0 0 0 0.0276 0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6793 -0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 1.2655 0.0241 0.0000 C 0 0 1 0 0 0 0 0 0 0.7828 -1.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0.7931 0.6793 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6621 0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3690 -0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 2.0690 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 1.4828 -1.8379 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3621 0.4448 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0690 -0.7517 0.0000 O 0 0 0 0 0 0 0 0 0 2.4724 -0.6724 0.0000 O 0 0 0 0 0 0 0 0 0 2.4724 0.7276 0.0000 O 0 0 0 0 0 0 0 0 0 1.4828 -2.6483 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0517 0.8586 0.0000 O 0 0 0 0 0 0 0 0 0 0.7828 -3.0483 0.0000 C 0 0 0 0 0 0 0 0 0 2.1793 -3.0483 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0483 1.6621 0.0000 C 0 0 2 0 0 0 0 0 0 0.7828 -3.8552 0.0000 C 0 0 1 0 0 0 0 0 0 2.1793 -3.8552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3552 2.0655 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7517 2.0655 0.0000 C 0 0 1 0 0 0 0 0 0 1.4828 -4.2621 0.0000 N 0 0 0 0 0 0 0 0 0 0.0828 -4.2621 0.0000 C 0 0 0 0 0 0 0 0 0 2.8793 -4.2621 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3552 2.8724 0.0000 C 0 0 1 0 0 0 0 0 0 -2.7517 2.8690 0.0000 C 0 0 2 0 0 0 0 0 0 -3.4517 1.6586 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6172 -3.8552 0.0000 O 0 0 0 0 0 0 0 0 0 0.0828 -5.0690 0.0000 O 0 0 0 0 0 0 0 0 0 2.8793 -5.0690 0.0000 O 0 0 0 0 0 0 0 0 0 3.5793 -3.8552 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0517 3.2759 0.0000 C 0 0 2 0 0 0 0 0 0 -0.6552 3.2759 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4517 3.2724 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0517 4.0793 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6586 4.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0.0310 4.4862 0.0000 S 0 0 3 0 0 0 0 0 0 0.6000 5.0586 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5379 5.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0.7276 4.0862 0.0000 O 0 5 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 5 10 1 1 0 0 6 11 1 0 0 0 8 12 2 0 0 0 9 13 1 0 0 0 10 14 1 0 0 0 10 15 2 0 0 0 11 16 2 0 0 0 12 17 1 0 0 0 16 18 1 0 0 0 16 19 1 0 0 0 20 17 1 1 0 0 18 21 1 0 0 0 19 22 2 0 0 0 20 23 1 0 0 0 20 24 1 0 0 0 21 25 1 0 0 0 21 26 1 1 0 0 22 27 1 0 0 0 23 28 1 0 0 0 24 29 1 0 0 0 24 30 1 6 0 0 26 31 1 0 0 0 26 32 2 0 0 0 27 33 1 0 0 0 27 34 2 0 0 0 28 35 1 0 0 0 28 36 1 1 0 0 29 37 1 1 0 0 35 38 1 6 0 0 36 39 1 0 0 0 39 40 1 0 0 0 40 41 2 0 0 0 40 42 2 0 0 0 40 43 1 0 0 0 5 7 1 0 0 0 9 12 1 0 0 0 22 25 1 0 0 0 29 35 1 0 0 0 M CHG 2 2 1 43 -1 M END