KEGG:C11646 Deoxyloganin tetraacetate ISISHOST03240423292D 1 1.00000 0.00000 12638 40 42 0 1 0 999 V2000 13.0494 -13.8753 0.0000 C 0 0 0 0 0 0 0 0 0 13.7739 -14.2919 0.0000 O 0 0 0 0 0 0 0 0 0 13.0494 -13.0419 0.0000 O 0 0 0 0 0 0 0 0 0 12.3269 -14.2923 0.0000 C 0 0 0 0 0 0 0 0 0 17.3436 -13.7900 0.0000 O 0 0 0 0 0 0 0 0 0 16.6233 -14.3116 0.0000 C 0 0 2 0 0 0 0 0 0 15.9151 -13.8947 0.0000 O 0 0 0 0 0 0 0 0 0 16.6186 -15.1367 0.0000 C 0 0 1 0 0 0 0 0 0 15.1994 -14.3034 0.0000 C 0 0 1 0 0 0 0 0 0 15.9059 -15.5449 0.0000 C 0 0 2 0 0 0 0 0 0 17.3452 -15.5550 0.0000 O 0 0 0 0 0 0 0 0 0 15.1949 -15.1285 0.0000 C 0 0 2 0 0 0 0 0 0 14.4885 -13.8911 0.0000 C 0 0 0 0 0 0 0 0 0 15.9043 -16.3719 0.0000 O 0 0 0 0 0 0 0 0 0 14.4793 -15.5414 0.0000 O 0 0 0 0 0 0 0 0 0 18.0698 -15.9619 0.0000 C 0 0 0 0 0 0 0 0 0 18.0710 -16.7931 0.0000 O 0 0 0 0 0 0 0 0 0 18.7858 -15.5489 0.0000 C 0 0 0 0 0 0 0 0 0 15.9067 -17.1999 0.0000 C 0 0 0 0 0 0 0 0 0 15.1886 -17.6068 0.0000 O 0 0 0 0 0 0 0 0 0 16.6183 -17.6107 0.0000 C 0 0 0 0 0 0 0 0 0 13.7580 -15.9485 0.0000 C 0 0 0 0 0 0 0 0 0 13.0444 -15.5340 0.0000 O 0 0 0 0 0 0 0 0 0 13.7521 -16.7747 0.0000 C 0 0 0 0 0 0 0 0 0 17.3614 -12.6377 0.0000 C 0 0 1 0 0 0 0 0 0 16.6632 -12.2266 0.0000 C 0 0 1 0 0 0 0 0 0 16.6632 -11.4138 0.0000 C 0 0 1 0 0 0 0 0 0 15.8891 -12.4777 0.0000 C 0 0 2 0 0 0 0 0 0 17.3614 -11.0123 0.0000 C 0 0 0 0 0 0 0 0 0 15.8926 -11.1696 0.0000 C 0 0 0 0 0 0 0 0 0 18.0659 -12.2266 0.0000 O 0 0 0 0 0 0 0 0 0 15.4219 -11.8147 0.0000 C 0 0 0 0 0 0 0 0 0 15.6420 -13.2380 0.0000 C 0 0 0 0 0 0 0 0 0 18.0659 -11.4138 0.0000 C 0 0 0 0 0 0 0 0 0 17.3580 -10.2063 0.0000 C 0 0 0 0 0 0 0 0 0 18.0555 -9.8130 0.0000 O 0 0 0 0 0 0 0 0 0 16.6563 -9.8165 0.0000 O 0 0 0 0 0 0 0 0 0 18.7497 -10.2063 0.0000 C 0 0 0 0 0 0 0 0 0 16.6632 -13.0324 0.0000 H 0 0 0 0 0 0 0 0 0 16.6632 -10.6113 0.0000 H 0 0 0 0 0 0 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 19 14 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 36 38 1 0 0 0 30 32 1 0 0 0 31 34 1 0 0 0 26 39 1 1 0 0 27 40 1 1 0 0 M END