CDK 1029232200 27 29 0 0 0 0 0 0 0 0999 V2000 3.9863 0.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1476 -0.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5845 -1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9487 -1.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7597 -1.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9840 -2.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7892 -1.9073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3342 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9785 -1.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6406 -1.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5585 -2.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5215 0.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7337 -2.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5094 -1.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 -0.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4041 -1.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3892 -0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6282 -0.5093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7628 0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1614 -0.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5876 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 17 21 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 6 7 1 0 0 0 0 12 15 1 0 0 0 0 17 20 1 0 0 0 0 M END > CHEBI:201669 > Dihydropleuromutilin > 2 > [(2R,3S,4R,6R,8R,14R)-4-ethyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-hydroxyacetate > C22H36O5 > 380.525 > 380.25627 > 0 > O=C1C2C3(C(OC(=O)CO)CC(CC)(C)C(C(C2(CCC3C)CC1)C)O)C > InChI=1S/C22H36O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h13-14,16,18-19,23,26H,6-12H2,1-5H3 > RTOIPDPHQXGIRG-UHFFFAOYSA-N $$$$