KEGG:C10445 1,3-Dicaffeoylquinic acid ISISHOST03240423252D 1 1.00000 0.00000 9487 37 39 0 1 0 999 V2000 6.0927 -3.8658 0.0000 C 0 0 1 0 0 0 0 0 0 6.8016 -3.4561 0.0000 C 0 0 1 0 0 0 0 0 0 5.3803 -3.4561 0.0000 C 0 0 1 0 0 0 0 0 0 6.8016 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 7.5105 -3.8624 0.0000 O 0 0 0 0 0 0 0 0 0 5.3803 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 4.7130 -3.9158 0.0000 O 0 0 0 0 0 0 0 0 0 6.0927 -2.2238 0.0000 C 0 0 1 0 0 0 0 0 0 6.0927 -1.4012 0.0000 C 0 0 0 0 0 0 0 0 0 5.2935 -1.6850 0.0000 O 0 0 0 0 0 0 0 0 0 6.8051 -0.9949 0.0000 O 0 0 0 0 0 0 0 0 0 5.3837 -0.9915 0.0000 O 0 0 0 0 0 0 0 0 0 6.0936 -4.6824 0.0000 O 0 0 0 0 0 0 0 0 0 3.9212 -4.3322 0.0000 C 0 0 0 0 0 0 0 0 0 3.2158 -3.9191 0.0000 C 0 0 0 0 0 0 0 0 0 3.9212 -5.1514 0.0000 O 0 0 0 0 0 0 0 0 0 2.5103 -4.3322 0.0000 C 0 0 0 0 0 0 0 0 0 1.7973 -3.9191 0.0000 C 0 0 0 0 0 0 0 0 0 1.0884 -4.3357 0.0000 C 0 0 0 0 0 0 0 0 0 1.7939 -3.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0.3760 -3.9260 0.0000 C 0 0 0 0 0 0 0 0 0 1.0815 -2.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0.3725 -3.1033 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3336 -4.3426 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3398 -2.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0.9542 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0.9542 -1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 1.6662 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 2.3699 -1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 2.3699 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 1.6662 -0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0.2482 -0.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0.2482 -2.2045 0.0000 O 0 0 0 0 0 0 0 0 0 3.0763 -2.2036 0.0000 C 0 0 0 0 0 0 0 0 0 3.7863 -1.7948 0.0000 C 0 0 0 0 0 0 0 0 0 4.4928 -2.2026 0.0000 C 0 0 0 0 0 0 0 0 0 4.4934 -3.0192 0.0000 O 0 0 0 0 0 0 0 0 0 9 12 2 0 0 0 6 8 1 0 0 0 7 14 1 0 0 0 14 15 1 0 0 0 14 16 2 0 0 0 15 17 2 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 18 20 2 0 0 0 19 21 2 0 0 0 20 22 1 0 0 0 21 23 1 0 0 0 21 24 1 0 0 0 23 25 1 0 0 0 22 23 2 0 0 0 1 13 1 6 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 2 5 1 1 0 0 26 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 31 26 2 0 0 0 3 6 1 0 0 0 26 32 1 0 0 0 3 7 1 6 0 0 27 33 1 0 0 0 4 8 1 0 0 0 29 34 1 0 0 0 8 9 1 1 0 0 34 35 2 0 0 0 8 10 1 6 0 0 35 36 1 0 0 0 36 10 1 0 0 0 9 11 1 0 0 0 36 37 2 0 0 0 M END