KEGG:C03908 trans-5-O-Caffeoyl-D-quinate ISISHOST03240423092D 1 1.00000 0.00000 3394 26 27 0 1 0 999 V2000 0.4448 1.0448 0.0000 C 0 0 2 0 0 0 0 0 0 0.4448 1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 1.0966 0.6621 0.0000 C 0 0 2 0 0 0 0 0 0 -0.2034 0.6690 0.0000 O 0 0 0 0 0 0 0 0 0 1.0931 2.1724 0.0000 C 0 0 2 0 0 0 0 0 0 1.7517 1.0448 0.0000 C 0 0 1 0 0 0 0 0 0 0.5586 0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8517 0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 1.7517 1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 1.6379 2.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0.5586 2.7103 0.0000 O 0 0 0 0 0 0 0 0 0 2.3966 0.6690 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8517 -0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5035 0.6655 0.0000 O 0 0 0 0 0 0 0 0 0 2.3552 2.4655 0.0000 O 0 0 0 0 0 0 0 0 0 1.4655 3.4172 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5000 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4966 -1.5793 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8379 -1.9552 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1448 -1.9552 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8379 -2.7138 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1448 -2.7138 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4966 -3.0966 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1897 -3.0897 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5000 -3.8483 0.0000 O 0 0 0 0 0 0 0 0 0 1.6207 0.1310 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 6 0 0 2 5 1 0 0 0 3 6 1 0 0 0 3 7 1 6 0 0 4 8 1 0 0 0 5 9 1 0 0 0 5 10 1 1 0 0 5 11 1 6 0 0 6 12 1 1 0 0 8 13 1 0 0 0 8 14 2 0 0 0 10 15 1 0 0 0 10 16 2 0 0 0 13 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 18 20 1 0 0 0 19 21 1 0 0 0 20 22 2 0 0 0 21 23 2 0 0 0 21 24 1 0 0 0 23 25 1 0 0 0 6 9 1 0 0 0 22 23 1 0 0 0 3 26 1 1 0 0 M END