KEGG:C03930 3alpha-Hydroxyglycyrrhetinate ISISHOST03240423092D 1 1.00000 0.00000 3414 37 41 0 1 0 999 V2000 -0.8034 -0.3069 0.0000 C 0 0 1 0 0 0 0 0 0 -0.1724 -0.6586 0.0000 C 0 0 2 0 0 0 0 0 0 -1.4207 -0.6690 0.0000 C 0 0 2 0 0 0 0 0 0 -0.8069 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0.4483 -0.3000 0.0000 C 0 0 1 0 0 0 0 0 0 -0.1690 -1.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0.4690 -1.0345 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4172 -1.3897 0.0000 C 0 0 1 0 0 0 0 0 0 -2.0517 -0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5310 0.1103 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1828 0.7759 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4586 0.7931 0.0000 O 0 0 0 0 0 0 0 0 0 0.4448 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 1.0759 -0.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0.9276 0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7966 -1.7517 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0414 -1.7586 0.0000 C 0 0 3 0 0 0 0 0 0 -2.6759 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 1.0621 0.7862 0.0000 C 0 0 1 0 0 0 0 0 0 1.6793 -0.3759 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6724 -1.3966 0.0000 C 0 0 1 0 0 0 0 0 0 -2.7552 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0414 -2.6276 0.0000 C 0 0 0 0 0 0 0 0 0 1.6897 0.4310 0.0000 C 0 0 1 0 0 0 0 0 0 1.0517 1.5103 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3207 -1.7724 0.0000 O 0 0 0 0 0 0 0 0 0 2.3172 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 2.3379 0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 1.6793 1.8828 0.0000 C 0 0 2 0 0 0 0 0 0 2.3172 1.5276 0.0000 C 0 0 0 0 0 0 0 0 0 2.3241 2.2621 0.0000 C 0 0 0 0 0 0 0 0 0 1.1448 2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 2.9759 1.8931 0.0000 O 0 0 0 0 0 0 0 0 0 2.3724 2.9586 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8034 -1.0897 0.0000 H 0 0 0 0 0 0 0 0 0 -1.4034 -2.1448 0.0000 H 0 0 0 0 0 0 0 0 0 0.4103 1.1621 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 2 7 1 1 0 0 3 8 1 0 0 0 3 9 1 0 0 0 3 10 1 1 0 0 4 11 1 0 0 0 4 12 2 0 0 0 5 13 1 0 0 0 5 14 1 0 0 0 5 15 1 6 0 0 6 16 1 0 0 0 8 17 1 0 0 0 9 18 1 0 0 0 13 19 1 0 0 0 14 20 1 0 0 0 17 21 1 0 0 0 17 22 1 0 0 0 17 23 1 0 0 0 19 24 1 0 0 0 19 25 1 0 0 0 21 26 1 6 0 0 24 27 1 0 0 0 24 28 1 1 0 0 25 29 1 0 0 0 27 30 1 0 0 0 29 31 1 1 0 0 29 32 1 6 0 0 31 33 1 0 0 0 31 34 2 0 0 0 8 16 1 0 0 0 11 13 2 0 0 0 18 21 1 0 0 0 20 24 1 0 0 0 29 30 1 0 0 0 1 35 1 6 0 0 8 36 1 6 0 0 19 37 1 1 0 0 M END