Marvin 01161316162D 27 30 0 0 0 0 999 V2000 5.7863 -6.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7851 -7.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4999 -7.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4981 -6.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2135 -6.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 -7.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9321 -7.7314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9253 -6.0744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6452 -6.4880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6476 -7.3124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3616 -7.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0737 -7.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0672 -6.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3526 -6.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3466 -5.2486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3651 -8.5456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0717 -6.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6377 -5.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9196 -5.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9121 -4.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1940 -4.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6229 -4.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6419 -8.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9245 -8.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9188 -9.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2213 -7.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3233 -5.5103 0.0000 H 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 3 6 2 0 0 0 0 5 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 10 1 0 0 0 0 9 8 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 9 1 0 0 0 0 14 15 2 0 0 0 0 11 16 2 0 0 0 0 1 17 1 0 0 0 0 9 18 1 6 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 10 23 1 6 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 8 26 1 0 0 0 0 8 27 1 6 0 0 0 M END > CHEBI:65821 > ehretianone > An organic heterotetracyclic compound that is 9,9a-dihydro-9,4a-prop[1]enoxanthene-1,4-dione substituted by a hydroxy group at position 7, a methyl group at position 12 and a prenyl group at position 9a. Isolated from the root barks of Ehretia buxifolia, it exhibits antisnake venom activity. > 3 > 7-hydroxy-9aalpha-(3-methylbut-2-enyl)-4aalpha,9alpha-(2-methylprop-2-enyl)-4a,9a-dihydro-1,4-dioxoxanthene > (4aS,9S,9aR)-7-hydroxy-12-methyl-9a-(3-methylbut-2-en-1-yl)-9,9a-dihydro-9,4a-prop[1]enoxanthene-1,4-dione > C22H22O4 > 350.40770 > 350.15181 > 0 > [H][C@]12C=C(C)C[C@@]3(Oc4ccc(O)cc14)C(=O)C=CC(=O)[C@]23CC=C(C)C > InChI=1S/C22H22O4/c1-13(2)8-9-21-17-10-14(3)12-22(21,20(25)7-6-19(21)24)26-18-5-4-15(23)11-16(17)18/h4-8,10-11,17,23H,9,12H2,1-3H3/t17-,21-,22+/m0/s1 > HBDVLYQTRSOPRO-BULFRSBZSA-N > 176050-43-4 > 176050-43-4 > 8759162 $$$$