KEGG:C10468 Isochlorogenic acid b ISISHOST03240423252D 1 1.00000 0.00000 9510 37 39 0 1 0 999 V2000 -0.4448 -0.1241 0.0000 C 0 0 1 0 0 0 0 0 0 0.2724 0.2897 0.0000 C 0 0 1 0 0 0 0 0 0 -1.1655 0.2897 0.0000 C 0 0 1 0 0 0 0 0 0 -0.4448 -0.9517 0.0000 O 0 0 0 0 0 0 0 0 0 0.2724 1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0.9897 -0.1207 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1655 1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8828 -0.1241 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1621 -1.3655 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4448 1.5345 0.0000 C 0 0 1 0 0 0 0 0 0 1.7069 0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8759 -0.9483 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1621 -2.1931 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4448 2.3655 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1690 1.9483 0.0000 O 0 0 0 0 0 0 0 0 0 2.4241 -0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 1.7035 1.1241 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5897 -1.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0.2759 2.7759 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1621 2.7793 0.0000 O 0 0 0 0 0 0 0 0 0 3.1345 0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3069 -0.9483 0.0000 C 0 0 0 0 0 0 0 0 0 3.8517 -0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0241 -1.3690 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3103 -0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 4.5724 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 3.8483 -0.9483 0.0000 C 0 0 0 0 0 0 0 0 0 -4.7448 -0.9552 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0310 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 5.2897 -0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 4.5655 -1.3690 0.0000 C 0 0 0 0 0 0 0 0 0 -4.7483 -0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 -5.4586 -1.3759 0.0000 O 0 0 0 0 0 0 0 0 0 5.2862 -0.9552 0.0000 C 0 0 0 0 0 0 0 0 0 6.0103 0.2828 0.0000 O 0 0 0 0 0 0 0 0 0 -5.4690 0.2828 0.0000 O 0 0 0 0 0 0 0 0 0 6.0000 -1.3759 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 6 0 0 2 5 1 0 0 0 2 6 1 1 0 0 3 7 1 0 0 0 3 8 1 6 0 0 4 9 1 0 0 0 5 10 1 0 0 0 6 11 1 0 0 0 9 12 1 0 0 0 9 13 2 0 0 0 10 14 1 1 0 0 10 15 1 6 0 0 11 16 1 0 0 0 11 17 2 0 0 0 12 18 2 0 0 0 14 19 1 0 0 0 14 20 2 0 0 0 16 21 2 0 0 0 18 22 1 0 0 0 21 23 1 0 0 0 22 24 1 0 0 0 22 25 2 0 0 0 23 26 1 0 0 0 23 27 2 0 0 0 24 28 2 0 0 0 25 29 1 0 0 0 26 30 2 0 0 0 27 31 1 0 0 0 28 32 1 0 0 0 28 33 1 0 0 0 30 34 1 0 0 0 30 35 1 0 0 0 32 36 1 0 0 0 34 37 1 0 0 0 7 10 1 0 0 0 29 32 2 0 0 0 31 34 2 0 0 0 M END