KEGG:C12209 Caffeoyl quinic acid ISISHOST07080423302D 1 1.00000 0.00000 14537 25 26 0 1 0 999 V2000 3.9087 -11.4953 0.0000 C 0 0 1 0 0 0 0 0 0 3.9087 -12.3203 0.0000 C 0 0 2 0 0 0 0 0 0 4.6249 -12.7328 0.0000 C 0 0 1 0 0 0 0 0 0 5.3369 -12.3203 0.0000 C 0 0 0 0 0 0 0 0 0 5.3369 -11.4953 0.0000 C 0 0 3 0 0 0 0 0 0 4.6249 -11.0828 0.0000 C 0 0 0 0 0 0 0 0 0 5.7420 -10.7786 0.0000 C 0 0 0 0 0 0 0 0 0 6.5670 -10.7711 0.0000 O 0 0 0 0 0 0 0 0 0 5.3231 -10.0679 0.0000 O 0 0 0 0 0 0 0 0 0 6.0462 -11.9078 0.0000 O 0 0 0 0 0 0 0 0 0 3.1944 -12.7332 0.0000 O 0 0 0 0 0 0 0 0 0 3.1944 -11.0824 0.0000 O 0 0 0 0 0 0 0 0 0 3.2095 -17.7069 0.0000 C 0 0 0 0 0 0 0 0 0 3.9348 -17.2866 0.0000 C 0 0 0 0 0 0 0 0 0 3.2095 -18.5302 0.0000 O 0 0 0 0 0 0 0 0 0 2.4945 -17.2866 0.0000 C 0 0 0 0 0 0 0 0 0 3.9348 -16.4530 0.0000 C 0 0 0 0 0 0 0 0 0 2.4945 -16.4530 0.0000 C 0 0 0 0 0 0 0 0 0 3.2095 -16.0397 0.0000 C 0 0 0 0 0 0 0 0 0 3.2095 -15.2164 0.0000 C 0 0 0 0 0 0 0 0 0 3.9203 -14.7996 0.0000 C 0 0 0 0 0 0 0 0 0 3.9160 -13.9735 0.0000 C 0 0 0 0 0 0 0 0 0 3.2008 -13.5642 0.0000 O 0 0 0 0 0 0 0 0 0 4.6286 -13.5578 0.0000 O 0 0 0 0 0 0 0 0 0 4.6496 -17.6985 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 14 25 1 0 0 0 M END