KEGG:C08810 Ajugalactone ISISHOST03240423212D 1 1.00000 0.00000 7850 41 45 0 0 0 999 V2000 0.1310 -0.8897 0.0000 C 0 0 2 0 0 0 0 0 0 0.1379 -0.0759 0.0000 C 0 0 1 0 0 0 0 0 0 -0.5724 -1.2862 0.0000 C 0 0 0 0 0 0 0 0 0 1.5310 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0.1207 -1.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0.8448 0.3172 0.0000 C 0 0 2 0 0 0 0 0 0 -0.5586 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0.1345 0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2724 -0.8793 0.0000 C 0 0 2 0 0 0 0 0 0 -0.5724 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 1.5379 -0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0.8414 1.1276 0.0000 C 0 0 1 0 0 0 0 0 0 -1.2655 -0.0690 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5517 1.1448 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9759 -1.2793 0.0000 C 0 0 2 0 0 0 0 0 0 -1.2793 -2.5035 0.0000 C 0 0 0 0 0 0 0 0 0 1.5379 1.5379 0.0000 C 0 0 1 0 0 0 0 0 0 0.1345 1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0.8379 1.9414 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9793 -2.0931 0.0000 C 0 0 2 0 0 0 0 0 0 -2.6793 -0.8759 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9828 -0.4690 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2828 -3.3172 0.0000 O 0 0 0 0 0 0 0 0 0 2.2414 1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 1.5379 2.3483 0.0000 O 0 0 0 0 0 0 0 0 0 -2.6793 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3828 -1.2793 0.0000 C 0 0 1 0 0 0 0 0 0 2.9448 1.5345 0.0000 C 0 0 0 0 0 0 0 0 0 2.2448 2.7483 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3828 -2.0931 0.0000 C 0 0 2 0 0 0 0 0 0 -4.0862 -0.8759 0.0000 O 0 0 0 0 0 0 0 0 0 2.9448 2.3448 0.0000 C 0 0 0 0 0 0 0 0 0 3.6414 1.1379 0.0000 C 0 0 0 0 0 0 0 0 0 2.2448 3.5621 0.0000 O 0 0 0 0 0 0 0 0 0 -4.0862 -2.4966 0.0000 O 0 0 0 0 0 0 0 0 0 3.6448 2.7483 0.0000 C 0 0 0 0 0 0 0 0 0 4.3448 1.5448 0.0000 C 0 0 0 0 0 0 0 0 0 1.5552 0.7379 0.0000 H 0 0 0 0 0 0 0 0 0 -1.2793 -1.7035 0.0000 H 0 0 0 0 0 0 0 0 0 2.2517 1.9586 0.0000 H 0 0 0 0 0 0 0 0 0 -1.9862 -2.9172 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 6 0 0 2 6 1 0 0 0 2 7 1 0 0 0 2 8 1 1 0 0 3 9 1 0 0 0 3 10 2 0 0 0 4 11 1 0 0 0 6 12 1 0 0 0 7 13 1 0 0 0 7 14 2 0 0 0 9 15 1 0 0 0 10 16 1 0 0 0 12 17 1 0 0 0 12 18 1 6 0 0 12 19 1 1 0 0 15 20 1 0 0 0 15 21 1 0 0 0 15 22 1 1 0 0 16 23 2 0 0 0 17 24 1 0 0 0 17 25 1 0 0 0 20 26 1 0 0 0 21 27 1 0 0 0 24 28 1 0 0 0 25 29 1 0 0 0 26 30 1 0 0 0 27 31 1 1 0 0 28 32 2 0 0 0 28 33 1 0 0 0 29 34 2 0 0 0 30 35 1 1 0 0 32 36 1 0 0 0 33 37 1 0 0 0 6 11 1 0 0 0 9 13 1 0 0 0 16 20 1 0 0 0 27 30 1 0 0 0 29 32 1 0 0 0 6 38 1 6 0 0 9 39 1 6 0 0 17 40 1 1 0 0 20 41 1 1 0 0 M END