KEGG:C08942 Echinocystic acid ISISHOST03240423212D 1 1.00000 0.00000 7982 37 41 0 0 0 999 V2000 1.8621 0.6931 0.0000 C 0 0 1 0 0 0 0 0 0 1.1552 1.1138 0.0000 C 0 0 2 0 0 0 0 0 0 1.8552 -0.1310 0.0000 C 0 0 1 0 0 0 0 0 0 2.5793 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 2.5724 0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0.4345 0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 1.1655 1.9345 0.0000 C 0 0 0 0 0 0 0 0 0 1.1345 -0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 1.8448 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 2.5897 1.9172 0.0000 C 0 0 0 0 0 0 0 0 0 3.2862 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 2.5724 -0.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0.4241 -0.1138 0.0000 C 0 0 1 0 0 0 0 0 0 -0.2793 1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 1.8862 2.3414 0.0000 C 0 0 3 0 0 0 0 0 0 -0.2931 -0.5276 0.0000 C 0 0 1 0 0 0 0 0 0 0.4172 -0.9379 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0000 0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 2.2931 3.0621 0.0000 C 0 0 0 0 0 0 0 0 0 1.4621 3.0621 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0069 -0.1034 0.0000 C 0 0 2 0 0 0 0 0 0 -0.2931 -1.3517 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3000 0.3069 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7241 -0.5172 0.0000 C 0 0 2 0 0 0 0 0 0 -1.0138 -1.7621 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7276 -1.3483 0.0000 C 0 0 1 0 0 0 0 0 0 -2.4414 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7345 0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4414 -1.7586 0.0000 C 0 0 3 0 0 0 0 0 0 -3.1586 -0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1586 -1.3483 0.0000 C 0 0 2 0 0 0 0 0 0 -2.8621 -2.4759 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2276 -2.5586 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8759 -1.7586 0.0000 O 0 0 0 0 0 0 0 0 0 1.1517 0.2897 0.0000 H 0 0 0 0 0 0 0 0 0 -1.0138 -0.9241 0.0000 H 0 0 0 0 0 0 0 0 0 -1.7345 -2.1724 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 1 0 0 2 6 1 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 3 9 1 6 0 0 4 10 1 0 0 0 5 11 1 0 0 0 5 12 2 0 0 0 6 13 1 0 0 0 6 14 2 0 0 0 7 15 1 0 0 0 13 16 1 0 0 0 13 17 1 6 0 0 14 18 1 0 0 0 15 19 1 0 0 0 15 20 1 0 0 0 16 21 1 0 0 0 16 22 1 0 0 0 16 23 1 1 0 0 21 24 1 0 0 0 22 25 1 0 0 0 24 26 1 0 0 0 24 27 1 0 0 0 24 28 1 1 0 0 26 29 1 0 0 0 27 30 1 0 0 0 29 31 1 0 0 0 29 32 1 0 0 0 29 33 1 0 0 0 31 34 1 1 0 0 8 13 1 0 0 0 10 15 1 0 0 0 18 21 1 0 0 0 25 26 1 0 0 0 30 31 1 0 0 0 2 35 1 1 0 0 21 36 1 6 0 0 26 37 1 6 0 0 M END