KEGG:C09561 Thapsigargin ISISHOST03240423232D 1 1.00000 0.00000 8603 48 50 0 1 0 999 V2000 16.9208 -17.9876 0.0000 O 0 0 0 0 0 0 0 0 0 17.7519 -17.5792 0.0000 C 0 0 0 0 0 0 0 0 0 18.4581 -17.9876 0.0000 C 0 0 0 0 0 0 0 0 0 19.1684 -17.5792 0.0000 C 0 0 0 0 0 0 0 0 0 17.7519 -16.7626 0.0000 O 0 0 0 0 0 0 0 0 0 14.5486 -17.0029 0.0000 C 0 0 2 0 0 0 0 0 0 14.4033 -17.8066 0.0000 C 0 0 0 0 0 0 0 0 0 13.8235 -16.6142 0.0000 C 0 0 1 0 0 0 0 0 0 15.2694 -16.6099 0.0000 C 0 0 2 0 0 0 0 0 0 14.9448 -18.4233 0.0000 C 0 0 1 0 0 0 0 0 0 13.5919 -17.9174 0.0000 C 0 0 0 0 0 0 0 0 0 13.2354 -17.1822 0.0000 C 0 0 2 0 0 0 0 0 0 13.7848 -15.7200 0.0000 O 0 0 0 0 0 0 0 0 0 16.0248 -16.9269 0.0000 C 0 0 0 0 0 0 0 0 0 15.3550 -15.7905 0.0000 O 0 0 0 0 0 0 0 0 0 15.9818 -16.2038 0.0000 C 0 0 0 0 0 0 0 0 0 15.7666 -18.3828 0.0000 C 0 0 2 0 0 0 0 0 0 14.7244 -19.2184 0.0000 O 0 0 0 0 0 0 0 0 0 13.2079 -18.6370 0.0000 C 0 0 0 0 0 0 0 0 0 12.4650 -16.9578 0.0000 O 0 0 0 0 0 0 0 0 0 16.2426 -17.7177 0.0000 C 0 0 1 0 0 0 0 0 0 15.3394 -14.9753 0.0000 C 0 0 0 0 0 0 0 0 0 16.0558 -19.1502 0.0000 C 0 0 2 0 0 0 0 0 0 16.5821 -18.5532 0.0000 O 0 0 0 0 0 0 0 0 0 15.4172 -19.6682 0.0000 C 0 0 0 0 0 0 0 0 0 16.0430 -19.9604 0.0000 C 0 0 0 0 0 0 0 0 0 16.8450 -19.3671 0.0000 O 0 0 0 0 0 0 0 0 0 15.4564 -20.4853 0.0000 O 0 0 0 0 0 0 0 0 0 14.5578 -16.1785 0.0000 H 0 0 0 0 0 0 0 0 0 15.3543 -17.7147 0.0000 H 0 0 0 0 0 0 0 0 0 16.0404 -14.5513 0.0000 C 0 0 0 0 0 0 0 0 0 14.6246 -14.5801 0.0000 O 0 0 0 0 0 0 0 0 0 11.5500 -17.4501 0.0000 C 0 0 0 0 0 0 0 0 0 10.8438 -17.0417 0.0000 C 0 0 0 0 0 0 0 0 0 11.5500 -18.2667 0.0000 O 0 0 0 0 0 0 0 0 0 12.9672 -15.2593 0.0000 C 0 0 0 0 0 0 0 0 0 12.2986 -15.6623 0.0000 O 0 0 0 0 0 0 0 0 0 12.9756 -14.4435 0.0000 C 0 0 0 0 0 0 0 0 0 19.8821 -17.9929 0.0000 C 0 0 0 0 0 0 0 0 0 10.1291 -17.4537 0.0000 C 0 0 0 0 0 0 0 0 0 10.8444 -16.2167 0.0000 C 0 0 0 0 0 0 0 0 0 11.5592 -15.8047 0.0000 C 0 0 0 0 0 0 0 0 0 12.2625 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 11.5500 -14.4417 0.0000 C 0 0 0 0 0 0 0 0 0 10.8375 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 10.1250 -14.4417 0.0000 C 0 0 0 0 0 0 0 0 0 9.4125 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 8.6975 -14.4408 0.0000 C 0 0 0 0 0 0 0 0 0 21 1 1 6 0 0 23 26 1 1 0 0 23 27 1 6 0 0 25 28 2 0 0 0 11 12 1 0 0 0 17 21 1 0 0 0 23 25 1 0 0 0 6 29 1 1 0 0 10 30 1 6 0 0 2 3 1 0 0 0 22 31 1 0 0 0 1 2 1 0 0 0 22 32 2 0 0 0 3 4 1 0 0 0 33 20 1 0 0 0 33 34 1 0 0 0 2 5 2 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 6 9 1 0 0 0 33 35 2 0 0 0 7 10 1 0 0 0 7 11 2 0 0 0 8 12 1 0 0 0 8 13 1 1 0 0 9 14 1 0 0 0 9 15 1 1 0 0 9 16 1 6 0 0 10 17 1 0 0 0 10 18 1 0 0 0 36 37 2 0 0 0 36 38 1 0 0 0 36 13 1 0 0 0 4 39 1 0 0 0 34 40 1 0 0 0 11 19 1 0 0 0 34 41 2 0 0 0 12 20 1 6 0 0 41 42 1 0 0 0 38 43 1 0 0 0 14 21 1 0 0 0 43 44 1 0 0 0 15 22 1 0 0 0 44 45 1 0 0 0 17 23 1 0 0 0 45 46 1 0 0 0 17 24 1 1 0 0 46 47 1 0 0 0 18 25 1 0 0 0 47 48 1 0 0 0 M END