KEGG:C11636 7-Deoxyloganate ISISHOST03240423292D 1 1.00000 0.00000 12571 27 29 0 1 0 999 V2000 16.3466 -13.6057 0.0000 C 0 0 2 0 0 0 0 0 0 16.3466 -12.7888 0.0000 C 0 0 1 0 0 0 0 0 0 17.0448 -14.0211 0.0000 C 0 0 2 0 0 0 0 0 0 15.5682 -13.8569 0.0000 C 0 0 2 0 0 0 0 0 0 17.0448 -12.3872 0.0000 C 0 0 0 0 0 0 0 0 0 15.5717 -12.5445 0.0000 C 0 0 0 0 0 0 0 0 0 17.0303 -15.2431 0.0000 O 0 0 0 0 0 0 0 0 0 17.7535 -13.6057 0.0000 O 0 0 0 0 0 0 0 0 0 15.0970 -13.1939 0.0000 C 0 0 0 0 0 0 0 0 0 15.3129 -14.6214 0.0000 C 0 0 0 0 0 0 0 0 0 17.7535 -12.7888 0.0000 C 0 0 0 0 0 0 0 0 0 17.0414 -11.5814 0.0000 C 0 0 0 0 0 0 0 0 0 16.2872 -15.8641 0.0000 C 0 0 2 0 0 0 0 0 0 17.7431 -11.1797 0.0000 O 0 0 0 0 0 0 0 0 0 16.3397 -11.1832 0.0000 O 0 0 0 0 0 0 0 0 0 15.5820 -15.4667 0.0000 O 0 0 0 0 0 0 0 0 0 16.2872 -16.6741 0.0000 C 0 0 1 0 0 0 0 0 0 14.8837 -15.8717 0.0000 C 0 0 1 0 0 0 0 0 0 15.5820 -17.0792 0.0000 C 0 0 2 0 0 0 0 0 0 16.9889 -17.0792 0.0000 O 0 0 0 0 0 0 0 0 0 14.8837 -16.6741 0.0000 C 0 0 2 0 0 0 0 0 0 14.1889 -15.4667 0.0000 C 0 0 0 0 0 0 0 0 0 15.5820 -17.8858 0.0000 O 0 0 0 0 0 0 0 0 0 14.1889 -17.0792 0.0000 O 0 0 0 0 0 0 0 0 0 13.5749 -15.9828 0.0000 O 0 0 0 0 0 0 0 0 0 16.3466 -14.4158 0.0000 H 0 0 0 0 0 0 0 0 0 16.3466 -11.9863 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 1 0 0 3 8 1 0 0 0 4 9 1 0 0 0 4 10 1 1 0 0 5 11 2 0 0 0 5 12 1 0 0 0 13 7 1 1 0 0 12 14 1 0 0 0 12 15 2 0 0 0 13 16 1 0 0 0 13 17 1 0 0 0 16 18 1 0 0 0 17 19 1 0 0 0 17 20 1 6 0 0 18 21 1 0 0 0 18 22 1 1 0 0 19 23 1 1 0 0 21 24 1 6 0 0 22 25 1 0 0 0 6 9 1 0 0 0 8 11 1 0 0 0 19 21 1 0 0 0 1 26 1 1 0 0 2 27 1 1 0 0 M END