131752166 CDK 0510212310 26 30 0 0 0 0 0 0 0 0999 V2000 3.4406 -0.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6914 1.7140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2983 -0.5146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9934 -2.0531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1117 1.7411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5544 0.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5544 1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9834 0.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0447 -0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2557 -0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9834 1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7695 1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5544 -0.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7342 0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3015 0.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9834 -0.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9965 -1.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 -0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 2.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4266 0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4055 1.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4569 -1.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 2 25 1 0 0 0 0 3 11 1 0 0 0 0 4 19 2 0 0 0 0 5 21 1 0 0 0 0 6 25 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 10 20 1 0 0 0 0 11 19 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 15 18 1 0 0 0 0 15 23 1 0 0 0 0 17 22 1 0 0 0 0 17 24 2 0 0 0 0 18 19 1 0 0 0 0 21 22 2 0 0 0 0 22 26 1 0 0 0 0 24 25 1 0 0 0 0 M END > CHEBI:172590 > Quassinol > 2 > 5,8-dihydroxy-2,9,15,17-tetramethyl-6,13-dioxapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-8,10-diene-4,12-dione > C20H24O6 > 360.406 > 360.15729 > 0 > O1C2(O)C3(C4C5(C(OC(=O)C=C5C(=C(O)C14)C)CC3C(CC2=O)C)C)C > InChI=1S/C20H24O6/c1-8-5-12(21)20(24)19(4)10(8)6-13-18(3)11(7-14(22)25-13)9(2)15(23)16(26-20)17(18)19/h7-8,10,13,16-17,23-24H,5-6H2,1-4H3 > WKNPIBKVHHVICI-UHFFFAOYSA-N $$$$