KEGG:C11647 Deoxyloganic acid tetraacetate ISISHOST03240423292D 1 1.00000 0.00000 12639 39 41 0 1 0 999 V2000 13.0504 -15.4208 0.0000 C 0 0 0 0 0 0 0 0 0 13.7750 -15.8375 0.0000 O 0 0 0 0 0 0 0 0 0 13.0504 -14.5875 0.0000 O 0 0 0 0 0 0 0 0 0 12.3279 -15.8379 0.0000 C 0 0 0 0 0 0 0 0 0 17.3446 -15.3397 0.0000 O 0 0 0 0 0 0 0 0 0 16.6243 -15.8614 0.0000 C 0 0 2 0 0 0 0 0 0 15.9162 -15.4444 0.0000 O 0 0 0 0 0 0 0 0 0 16.6196 -16.6866 0.0000 C 0 0 1 0 0 0 0 0 0 15.2006 -15.8532 0.0000 C 0 0 1 0 0 0 0 0 0 15.9070 -17.0947 0.0000 C 0 0 2 0 0 0 0 0 0 17.3462 -17.1048 0.0000 O 0 0 0 0 0 0 0 0 0 15.1961 -16.6784 0.0000 C 0 0 2 0 0 0 0 0 0 14.4895 -15.4408 0.0000 C 0 0 0 0 0 0 0 0 0 15.9054 -17.9216 0.0000 O 0 0 0 0 0 0 0 0 0 14.4803 -17.0912 0.0000 O 0 0 0 0 0 0 0 0 0 18.0709 -17.5116 0.0000 C 0 0 0 0 0 0 0 0 0 18.0721 -18.3428 0.0000 O 0 0 0 0 0 0 0 0 0 18.7869 -17.0988 0.0000 C 0 0 0 0 0 0 0 0 0 15.9078 -18.7497 0.0000 C 0 0 0 0 0 0 0 0 0 15.1897 -19.1567 0.0000 O 0 0 0 0 0 0 0 0 0 16.6194 -19.1605 0.0000 C 0 0 0 0 0 0 0 0 0 13.7590 -17.4983 0.0000 C 0 0 0 0 0 0 0 0 0 13.0455 -17.0839 0.0000 O 0 0 0 0 0 0 0 0 0 13.7532 -18.3245 0.0000 C 0 0 0 0 0 0 0 0 0 17.3500 -14.2209 0.0000 C 0 0 1 0 0 0 0 0 0 16.6507 -13.8057 0.0000 C 0 0 1 0 0 0 0 0 0 16.6507 -12.9929 0.0000 C 0 0 1 0 0 0 0 0 0 15.8766 -14.0568 0.0000 C 0 0 2 0 0 0 0 0 0 17.3489 -12.5914 0.0000 C 0 0 0 0 0 0 0 0 0 15.8801 -12.7487 0.0000 C 0 0 0 0 0 0 0 0 0 18.0535 -13.8057 0.0000 O 0 0 0 0 0 0 0 0 0 15.4095 -13.3938 0.0000 C 0 0 0 0 0 0 0 0 0 15.6296 -14.8172 0.0000 C 0 0 0 0 0 0 0 0 0 18.0535 -12.9929 0.0000 C 0 0 0 0 0 0 0 0 0 17.3455 -11.7855 0.0000 C 0 0 0 0 0 0 0 0 0 18.0431 -11.3921 0.0000 O 0 0 0 0 0 0 0 0 0 16.6438 -11.3956 0.0000 O 0 0 0 0 0 0 0 0 0 16.6507 -14.6116 0.0000 H 0 0 0 0 0 0 0 0 0 16.6507 -12.1905 0.0000 H 0 0 0 0 0 0 0 0 0 19 14 1 0 0 0 19 20 2 0 0 0 8 11 1 6 0 0 19 21 1 0 0 0 9 12 1 0 0 0 9 13 1 1 0 0 22 15 1 0 0 0 22 23 2 0 0 0 10 14 1 1 0 0 22 24 1 0 0 0 12 15 1 6 0 0 25 5 1 1 0 0 10 12 1 0 0 0 13 2 1 0 0 0 6 5 1 1 0 0 6 7 1 0 0 0 6 8 1 0 0 0 7 9 1 0 0 0 1 4 1 0 0 0 1 2 1 0 0 0 16 11 1 0 0 0 16 17 2 0 0 0 1 3 2 0 0 0 16 18 1 0 0 0 8 10 1 0 0 0 26 27 1 0 0 0 26 25 1 0 0 0 26 28 1 0 0 0 27 29 1 0 0 0 27 30 1 0 0 0 25 31 1 0 0 0 28 32 1 0 0 0 28 33 1 1 0 0 29 34 2 0 0 0 29 35 1 0 0 0 35 36 1 0 0 0 35 37 2 0 0 0 30 32 1 0 0 0 31 34 1 0 0 0 26 38 1 1 0 0 27 39 1 1 0 0 M END