CDK 1030232201 33 37 0 0 0 0 0 0 0 0999 V2000 5.7158 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -3.7125 0.0000 C 0 0 1 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 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -4.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4303 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 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 5.0013 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 -4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1447 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 -5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -4.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7322 -6.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5572 -6.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -5.3625 0.0000 O 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 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 11 7 1 6 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 14 10 1 0 0 0 0 15 11 1 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 14 19 1 6 0 0 0 20 15 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 6 0 0 0 16 23 2 0 0 0 0 18 24 1 0 0 0 0 20 25 1 1 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 23 28 1 0 0 0 0 29 26 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 28 32 1 0 0 0 0 29 33 1 1 0 0 0 6 9 1 0 0 0 0 11 14 1 0 0 0 0 17 23 1 0 0 0 0 20 24 1 0 0 0 0 27 29 1 0 0 0 0 M END > CHEBI:212388 > Arisugacin E > 2 > (1R,2R,5R,7S,10R)-5,7-dihydroxy-14-(4-methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-16-one > C27H34O6 > 454.563 > 454.23554 > 0 > O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@@H]4[C@@]5([C@](O)(C([C@H](O)CC5)(C)C)CC[C@]4(O3)C)C > InChI=1S/C27H34O6/c1-24(2)22(28)10-11-25(3)21-14-18-20(33-26(21,4)12-13-27(24,25)30)15-19(32-23(18)29)16-6-8-17(31-5)9-7-16/h6-9,15,21-22,28,30H,10-14H2,1-5H3/t21-,22-,25-,26-,27-/m1/s1 > GECAUTUYQKKNPV-XIVUVDIESA-N $$$$