Ketcher 09072014582D 1 1.00000 0.00000 0 39 40 0 0 0 999 V2000 0.0000 1.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9034 0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2776 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9034 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9034 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5948 1.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8468 2.7443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8468 2.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5948 -1.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8468 -2.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8468 -3.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6936 -4.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2554 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7443 0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7221 0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2110 1.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2110 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7443 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7221 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2110 -1.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2110 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6231 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3547 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 3.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6937 2.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9034 0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3924 1.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3702 1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8591 2.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8369 2.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3258 3.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3258 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8813 0.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 1 28 1 1 0 0 2 9 1 0 0 0 5 12 2 0 0 0 6 13 1 0 0 0 6 28 1 1 0 0 3 18 1 0 0 0 4 23 1 1 0 0 8 10 2 0 0 0 8 11 1 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 25 27 1 0 0 0 28 29 2 0 0 0 11 30 1 0 0 0 11 31 1 0 0 0 32 33 1 0 0 0 32 39 1 1 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 36 37 1 0 0 0 36 38 1 0 0 0 4 7 1 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 5 1 0 0 0 6 5 1 0 0 0 6 7 1 0 0 0 1 32 1 0 0 0 32 4 1 0 0 0 M END > CHEBI:5834 > hyperforin > A cyclic terpene ketone that is a prenylated carbobicyclic acylphloroglucinol derivative produced by St. John's Wort, Hypericum perforatum. > 3 > hyperforine; hyperforin; Hyperforin; hiperforina; (1R,5S,6R,7S)-4-hydroxy-5-isobutyryl-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione > (1R,5S,6R,7S)-4-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione > C35H52O4; C35H52O4 > 536.797 > 536.38656 > 0 > CC(C)C(=O)[C@@]12C(O)=C(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O > InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,38H,12,16-17,19-21H2,1-11H3/t27-,33+,34+,35-/m0/s1 > IWBJJCOKGLUQIZ-HQKKAZOISA-N > 6785663 > 11079-53-1 > 6785663 > 11079-53-1 > DB01892 > C07608 > C00034542 > HYF > Hyperforin > 12578355; 16973193; 21947285; 22226089; 22924417; 23149561; 23270309; 23811220; 24033566; 24121871; 24377447; 24838522; 24881563; 25173557; 25467783; 25511254; 25678043 $$$$