KEGG:C10432 1-Caffeoyl-4-deoxyquinic acid ISISHOST03240423252D 1 1.00000 0.00000 9474 24 25 0 1 0 999 V2000 2.5917 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 2.5917 -1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 3.2995 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 4.0032 -1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 4.0032 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 3.2995 -0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 4.7138 -0.2214 0.0000 C 0 0 0 0 0 0 0 0 0 5.4196 -0.6302 0.0000 C 0 0 0 0 0 0 0 0 0 6.1261 -0.2224 0.0000 C 0 0 0 0 0 0 0 0 0 7.0028 -0.7230 0.0000 O 0 0 0 0 0 0 0 0 0 1.8857 -0.2205 0.0000 O 0 0 0 0 0 0 0 0 0 1.8857 -1.8545 0.0000 O 0 0 0 0 0 0 0 0 0 6.1267 0.5942 0.0000 O 0 0 0 0 0 0 0 0 0 7.0833 -1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 7.0833 -2.3625 0.0000 C 0 0 2 0 0 0 0 0 0 7.7912 -2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 8.4990 -2.3625 0.0000 C 0 0 1 0 0 0 0 0 0 8.4990 -1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 7.7912 -1.1375 0.0000 C 0 0 1 0 0 0 0 0 0 7.7922 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 8.4989 0.0866 0.0000 O 0 0 0 0 0 0 0 0 0 7.0866 0.0884 0.0000 O 0 0 0 0 0 0 0 0 0 6.3774 -2.7712 0.0000 O 0 0 0 0 0 0 0 0 0 9.2055 -2.7703 0.0000 O 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 6 1 2 0 0 0 9 13 2 0 0 0 5 7 1 0 0 0 1 2 1 0 0 0 7 8 2 0 0 0 2 3 2 0 0 0 8 9 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 14 1 0 0 0 3 4 1 0 0 0 19 20 1 1 0 0 9 10 1 0 0 0 20 21 1 0 0 0 4 5 2 0 0 0 20 22 2 0 0 0 19 10 1 6 0 0 1 11 1 0 0 0 15 23 1 6 0 0 5 6 1 0 0 0 17 24 1 1 0 0 M END