CDK 7/27/12,16:42 39 43 0 0 0 0 0 0 0 0999 V2000 2.3914 -0.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8041 -1.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6079 -1.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6957 -0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9424 -0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9031 -1.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1187 -1.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1304 -0.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2904 -1.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2991 -0.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1332 -0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1378 -1.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4232 -1.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4304 -2.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4038 1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3168 1.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1141 1.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8306 1.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5451 1.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2615 1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9719 1.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2717 0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1888 0.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9097 0.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8727 0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4691 -2.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2918 0.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2876 -1.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 0.5795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 -1.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3976 -2.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3915 -3.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1032 -3.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8229 -3.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8246 -2.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1297 0.5961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6689 0.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 18 1 1 0 0 0 2 3 1 0 0 0 0 17 19 1 0 0 0 0 3 4 1 0 0 0 0 19 20 1 0 0 0 0 9 11 1 0 0 0 0 20 21 1 0 0 0 0 10 8 1 0 0 0 0 21 22 2 0 0 0 0 10 11 1 0 0 0 0 22 23 1 0 0 0 0 4 5 1 0 0 0 0 22 24 1 0 0 0 0 5 1 1 0 0 0 0 7 25 2 0 0 0 0 1 2 1 6 0 0 0 5 26 1 1 0 0 0 5 27 1 0 0 0 0 8 6 1 0 0 0 0 2 28 2 0 0 0 0 6 1 1 0 0 0 0 11 29 1 1 0 0 0 10 15 1 0 0 0 0 10 30 1 1 0 0 0 11 12 1 0 0 0 0 9 31 1 1 0 0 0 12 13 1 0 0 0 0 8 32 1 1 0 0 0 13 14 1 0 0 0 0 32 33 2 0 0 0 0 14 15 2 0 0 0 0 33 34 1 0 0 0 0 1 7 1 0 0 0 0 34 35 2 0 0 0 0 15 16 1 0 0 0 0 35 36 1 0 0 0 0 7 9 1 0 0 0 0 36 37 2 0 0 0 0 37 32 1 0 0 0 0 12 17 1 0 0 0 0 12 38 1 1 0 0 0 8 9 1 0 0 0 0 27 39 2 0 0 0 0 M END > CHEBI:65510 > Biyouyanagin A > A natural product found in Hypericum chinense var salicifolium. > 2 > (2R,3aS,3bS,4R,4'R,7aS,7bR)-4',7-Dimethyl-4-[(2R)-6-methyl-5-hepten-2-yl]-7b-phenyl-4'-vinyl-3a,3b,4,4',5,5',7a,7b-octahydro-3H-spiro[benzo[3,4]cyclobuta[1,2-b]furan-2,3'-furan]-2',3-dione > C31H38O4 > 474.63100 > 474.27701 > 0 > [H][C@@]1(CC=C(C)[C@]2([H])[C@@]1([H])[C@]1([H])C(=O)[C@@]3(O[C@]21c1ccccc1)C(=O)OC[C@@]3(C)C=C)[C@H](C)CCC=C(C)C > InChI=1S/C31H38O4/c1-7-29(6)18-34-28(33)31(29)27(32)26-24-23(20(4)13-11-12-19(2)3)17-16-21(5)25(24)30(26,35-31)22-14-9-8-10-15-22/h7-10,12,14-16,20,23-26H,1,11,13,17-18H2,2-6H3/t20-,23-,24+,25-,26-,29-,30-,31-/m1/s1 > HPOOJUSGIAKESV-FUPDMQGESA-N > 15987189 $$$$