KEGG:C08965 Pfaffic acid ISISHOST03240423212D 1 1.00000 0.00000 8005 35 40 0 0 0 999 V2000 1.8310 0.8241 0.0000 C 0 0 1 0 0 0 0 0 0 1.1621 1.2207 0.0000 C 0 0 2 0 0 0 0 0 0 1.8207 0.0414 0.0000 C 0 0 2 0 0 0 0 0 0 2.5207 1.2034 0.0000 C 0 0 0 0 0 0 0 0 0 1.8310 1.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0.4828 0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 1.3621 0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 3.1793 0.0172 0.0000 C 0 0 1 0 0 0 0 0 0 1.1448 -0.3379 0.0000 C 0 0 0 0 0 0 0 0 0 3.1931 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 2.5035 2.0103 0.0000 O 0 0 0 0 0 0 0 0 0 1.1448 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0.4724 0.0586 0.0000 C 0 0 1 0 0 0 0 0 0 -0.1931 1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 3.9069 -0.2759 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2069 -0.3276 0.0000 C 0 0 1 0 0 0 0 0 0 0.4621 -0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8759 0.8517 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8828 0.0690 0.0000 C 0 0 2 0 0 0 0 0 0 -0.2069 -1.1103 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2172 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5621 -0.3207 0.0000 C 0 0 2 0 0 0 0 0 0 -0.8862 -1.5035 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5655 -1.1069 0.0000 C 0 0 1 0 0 0 0 0 0 -2.2414 0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5690 0.4621 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2414 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 -2.9241 -0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9241 -1.1069 0.0000 C 0 0 2 0 0 0 0 0 0 -2.0448 -2.2586 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9207 -1.8862 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6069 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 1.8172 -0.7793 0.0000 H 0 0 0 0 0 0 0 0 0 -0.8862 -0.7517 0.0000 H 0 0 0 0 0 0 0 0 0 -1.5690 -1.9310 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 1 0 0 2 6 1 0 0 0 2 7 1 6 0 0 3 8 1 0 0 0 3 9 1 0 0 0 4 10 1 0 0 0 5 11 1 0 0 0 5 12 2 0 0 0 6 13 1 0 0 0 6 14 2 0 0 0 8 15 1 0 0 0 13 16 1 0 0 0 13 17 1 6 0 0 14 18 1 0 0 0 16 19 1 0 0 0 16 20 1 0 0 0 16 21 1 1 0 0 19 22 1 0 0 0 20 23 1 0 0 0 22 24 1 0 0 0 22 25 1 0 0 0 22 26 1 1 0 0 24 27 1 0 0 0 25 28 1 0 0 0 27 29 1 0 0 0 27 30 1 0 0 0 27 31 1 0 0 0 29 32 1 1 0 0 8 7 1 6 0 0 8 10 1 0 0 0 9 13 1 0 0 0 18 19 1 0 0 0 23 24 1 0 0 0 28 29 1 0 0 0 3 33 1 1 0 0 19 34 1 6 0 0 24 35 1 6 0 0 M END