KEGG:C12208 p-Coumaroyl quinic acid ISISHOST07090423302D 1 1.00000 0.00000 14536 24 25 0 1 0 999 V2000 3.7962 -9.2953 0.0000 C 0 0 1 0 0 0 0 0 0 3.7962 -10.1203 0.0000 C 0 0 2 0 0 0 0 0 0 4.5124 -10.5328 0.0000 C 0 0 1 0 0 0 0 0 0 5.2244 -10.1203 0.0000 C 0 0 0 0 0 0 0 0 0 5.2244 -9.2953 0.0000 C 0 0 3 0 0 0 0 0 0 4.5124 -8.8828 0.0000 C 0 0 0 0 0 0 0 0 0 5.6295 -8.5786 0.0000 C 0 0 0 0 0 0 0 0 0 6.4545 -8.5711 0.0000 O 0 0 0 0 0 0 0 0 0 5.2106 -7.8679 0.0000 O 0 0 0 0 0 0 0 0 0 5.9337 -9.7078 0.0000 O 0 0 0 0 0 0 0 0 0 3.0819 -10.5332 0.0000 O 0 0 0 0 0 0 0 0 0 3.0819 -8.8824 0.0000 O 0 0 0 0 0 0 0 0 0 3.0970 -15.5069 0.0000 C 0 0 0 0 0 0 0 0 0 3.8223 -15.0866 0.0000 C 0 0 0 0 0 0 0 0 0 3.0970 -16.3302 0.0000 O 0 0 0 0 0 0 0 0 0 2.3820 -15.0866 0.0000 C 0 0 0 0 0 0 0 0 0 3.8223 -14.2530 0.0000 C 0 0 0 0 0 0 0 0 0 2.3820 -14.2530 0.0000 C 0 0 0 0 0 0 0 0 0 3.0970 -13.8397 0.0000 C 0 0 0 0 0 0 0 0 0 3.0970 -13.0164 0.0000 C 0 0 0 0 0 0 0 0 0 3.8078 -12.5996 0.0000 C 0 0 0 0 0 0 0 0 0 3.8035 -11.7735 0.0000 C 0 0 0 0 0 0 0 0 0 3.0883 -11.3642 0.0000 O 0 0 0 0 0 0 0 0 0 4.5161 -11.3578 0.0000 O 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 1 2 1 0 0 0 7 8 1 0 0 0 2 3 1 0 0 0 7 9 2 0 0 0 3 4 1 0 0 0 5 10 1 0 0 0 4 5 1 0 0 0 2 11 1 6 0 0 13 16 2 0 0 0 14 17 2 0 0 0 16 18 1 0 0 0 17 19 1 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 18 19 2 0 0 0 13 14 1 0 0 0 21 22 1 0 0 0 13 15 1 0 0 0 22 23 2 0 0 0 5 6 1 0 0 0 22 24 1 0 0 0 3 24 1 1 0 0 1 12 1 6 0 0 M END