KEGG:C04222 trans-5-O-(4-Coumaroyl)-D-quinate ISISHOST03240423102D 1 1.00000 0.00000 3658 25 26 0 1 0 999 V2000 0.8655 -0.9034 0.0000 C 0 0 1 0 0 0 0 0 0 0.8655 -0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0.2172 -1.2759 0.0000 O 0 0 0 0 0 0 0 0 0 1.5172 -1.2862 0.0000 C 0 0 2 0 0 0 0 0 0 1.5138 0.2276 0.0000 C 0 0 2 0 0 0 0 0 0 -0.4172 -0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 2.1724 -0.9034 0.0000 C 0 0 1 0 0 0 0 0 0 0.9793 -1.8172 0.0000 O 0 0 0 0 0 0 0 0 0 2.1724 -0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 2.0414 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 1.1345 0.8793 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0759 -1.1552 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4172 -0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 2.8241 -1.2759 0.0000 O 0 0 0 0 0 0 0 0 0 2.7655 0.5690 0.0000 O 0 0 0 0 0 0 0 0 0 1.8414 1.4828 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7310 -0.7759 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0724 0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7276 -0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3759 0.3517 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3759 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0241 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0241 2.2241 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6759 1.1000 0.0000 O 0 0 0 0 0 0 0 0 0 2.0414 -1.8172 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 6 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 1 6 0 0 5 9 1 0 0 0 5 10 1 1 0 0 5 11 1 6 0 0 6 12 2 0 0 0 6 13 1 0 0 0 7 14 1 1 0 0 10 15 1 0 0 0 10 16 2 0 0 0 12 17 1 0 0 0 13 18 2 0 0 0 17 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 22 24 2 0 0 0 7 9 1 0 0 0 18 19 1 0 0 0 4 25 1 1 0 0 M END