KEGG:C08805 Cucurbitacin Q ISISHOST03240423212D 1 1.00000 0.00000 7845 43 46 0 0 0 999 V2000 0.0000 -0.4517 0.0000 C 0 0 2 0 0 0 0 0 0 0.0069 0.3586 0.0000 C 0 0 1 0 0 0 0 0 0 -0.7069 -0.8586 0.0000 C 0 0 1 0 0 0 0 0 0 1.4069 -0.4690 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0103 -1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0.7138 0.7552 0.0000 C 0 0 2 0 0 0 0 0 0 -0.6931 0.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0.0034 1.1759 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4069 -0.4448 0.0000 C 0 0 1 0 0 0 0 0 0 -0.7069 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 1.4172 0.3414 0.0000 C 0 0 2 0 0 0 0 0 0 0.7103 1.5724 0.0000 C 0 0 1 0 0 0 0 0 0 -1.4000 0.3690 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1207 -0.8483 0.0000 C 0 0 1 0 0 0 0 0 0 -1.4138 -1.2586 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4138 -2.0759 0.0000 C 0 0 0 0 0 0 0 0 0 2.1207 0.7552 0.0000 O 0 0 0 0 0 0 0 0 0 1.4138 1.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0.0034 1.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0.7069 2.3897 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1069 0.7862 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1241 -1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8241 -0.4414 0.0000 C 0 0 0 0 0 0 0 0 0 2.1207 1.5759 0.0000 C 0 0 0 0 0 0 0 0 0 1.4103 2.7966 0.0000 O 0 0 0 0 0 0 0 0 0 -2.8241 -2.0759 0.0000 C 0 0 3 0 0 0 0 0 0 -3.5310 -0.8483 0.0000 C 0 0 2 0 0 0 0 0 0 2.8241 1.9828 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5310 -1.6655 0.0000 C 0 0 1 0 0 0 0 0 0 -2.4207 -2.7828 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2379 -2.7828 0.0000 C 0 0 0 0 0 0 0 0 0 -4.2414 -0.4414 0.0000 O 0 0 0 0 0 0 0 0 0 3.5310 1.5793 0.0000 C 0 0 3 0 0 0 0 0 0 -4.2414 -2.0690 0.0000 O 0 0 0 0 0 0 0 0 0 3.5276 0.7621 0.0000 O 0 0 0 0 0 0 0 0 0 4.2345 1.1724 0.0000 C 0 0 0 0 0 0 0 0 0 4.2345 1.9931 0.0000 C 0 0 0 0 0 0 0 0 0 3.5241 -0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 4.2276 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 2.8103 -0.4586 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7138 -0.0345 0.0000 H 0 0 0 0 0 0 0 0 0 1.4241 1.1759 0.0000 H 0 0 0 0 0 0 0 0 0 -2.1241 -0.0207 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 1 5 1 6 0 0 2 6 1 0 0 0 2 7 1 0 0 0 2 8 1 1 0 0 3 9 1 0 0 0 3 10 1 0 0 0 4 11 1 0 0 0 6 12 1 0 0 0 7 13 1 0 0 0 9 14 1 0 0 0 9 15 1 1 0 0 10 16 1 0 0 0 11 17 1 6 0 0 12 18 1 0 0 0 12 19 1 6 0 0 12 20 1 1 0 0 13 21 2 0 0 0 14 22 1 0 0 0 14 23 1 0 0 0 18 24 1 0 0 0 18 25 2 0 0 0 22 26 1 0 0 0 23 27 1 0 0 0 24 28 2 0 0 0 26 29 1 0 0 0 26 30 1 0 0 0 26 31 1 0 0 0 27 32 1 6 0 0 28 33 1 0 0 0 29 34 1 6 0 0 33 35 1 0 0 0 33 36 1 0 0 0 33 37 1 0 0 0 35 38 1 0 0 0 38 39 1 0 0 0 38 40 2 0 0 0 6 11 1 0 0 0 9 13 1 0 0 0 16 22 2 0 0 0 27 29 1 0 0 0 3 41 1 1 0 0 6 42 1 6 0 0 14 43 1 6 0 0 M END