CDK 1030232203 35 39 0 0 0 0 0 0 0 0999 V2000 5.7157 -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 3.5723 -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 5.7157 -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 3.5723 -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 5.7157 -3.7125 0.0000 C 0 0 2 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 -4.1249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2239 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -4.1249 0.0000 C 0 0 1 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 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -4.9499 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 7.1447 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -4.9499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5333 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8591 -4.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -5.7749 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 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8591 -4.9499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7321 -6.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5571 -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 8.5736 -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 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 1 0 0 0 16 11 1 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 14 19 1 0 0 0 0 14 20 1 6 0 0 0 16 21 1 0 0 0 0 22 16 1 0 0 0 0 16 23 1 6 0 0 0 17 24 2 0 0 0 0 19 25 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 28 1 1 0 0 0 22 29 1 0 0 0 0 24 30 1 0 0 0 0 31 27 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 31 35 1 1 0 0 0 6 9 1 0 0 0 0 11 14 1 0 0 0 0 18 24 1 0 0 0 0 22 25 1 0 0 0 0 29 31 1 0 0 0 0 M END > CHEBI:225149 > Arisugacin O > 2 > (1S,2S,5R,7R,10R)-1,5,7-trihydroxy-14-(4-methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-diene-3,16-dione > C27H32O8 > 484.545 > 484.20972 > 0 > O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@]4(O)[C@]5(C(=O)C[C@@H](O)C([C@]5(O)CC[C@]4(O3)C)(C)C)C > InChI=1S/C27H32O8/c1-23(2)20(28)13-21(29)25(4)26(23,31)11-10-24(3)27(25,32)14-17-19(35-24)12-18(34-22(17)30)15-6-8-16(33-5)9-7-15/h6-9,12,20,28,31-32H,10-11,13-14H2,1-5H3/t20-,24-,25+,26-,27-/m1/s1 > OQZMMSBLGYHONG-ZJQFWPFFSA-N $$$$