CDK 1028232202 29 33 0 0 0 0 0 0 0 0999 V2000 0.0000 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -2.4750 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 0.0000 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -2.8875 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 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -3.7125 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 2.1434 0.0000 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 0.7144 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -4.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 -2.8875 0.0000 O 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 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6671 -4.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5723 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3816 -4.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6671 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9526 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -6.0770 0.0000 C 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 2 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 2 0 0 0 0 10 16 2 0 0 0 0 17 10 1 0 0 0 0 11 18 2 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 1 0 0 0 20 24 1 0 0 0 0 25 21 1 0 0 0 0 23 26 1 6 0 0 0 23 27 1 0 0 0 0 25 28 1 1 0 0 0 25 29 1 0 0 0 0 8 11 1 0 0 0 0 12 16 1 0 0 0 0 15 20 1 0 0 0 0 22 25 1 0 0 0 0 27 28 1 0 0 0 0 M END > CHEBI:200184 > 8-O-methylnidurufin > 2 > (1R,17S,20S)-3,9,20-trihydroxy-7-methoxy-17-methyl-16,21-dioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6(11),7,9,13-hexaene-5,12-dione > C21H18O8 > 398.367 > 398.10017 > 0 > O=C1C2=C(O)C3=C(O[C@]4(CC[C@@H]([C@@H]3O4)O)C)C=C2C(=O)C=5C1=C(OC)C=C(O)C5 > InChI=1S/C21H18O8/c1-21-4-3-11(23)20(29-21)16-13(28-21)7-10-15(19(16)26)18(25)14-9(17(10)24)5-8(22)6-12(14)27-2/h5-7,11,20,22-23,26H,3-4H2,1-2H3/t11-,20-,21+/m0/s1 > RJWLVUKDQNSXEH-ZTQXTMOCSA-N $$$$