CDK 1030232204 28 30 0 0 0 0 0 0 0 0999 V2000 3.0696 -1.9765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9833 -1.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6508 -0.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2296 -0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5645 0.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4045 -1.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2320 0.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8108 0.4849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4907 -1.8272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0719 -0.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 0.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 1.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 1.9840 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 3.7934 1.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 2.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 2.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4934 1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 3.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 3.4130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0809 2.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0809 1.2696 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 7 4 1 0 0 0 0 5 8 1 0 0 0 0 9 5 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 6 0 0 0 9 14 1 0 0 0 0 9 15 1 6 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 22 2 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 7 9 1 0 0 0 0 14 16 2 0 0 0 0 22 23 1 0 0 0 0 M END > CHEBI:227684 > Usone > 2 > (4aR,9bS)-2,6-diacetyl-4a-ethoxy-1,7,9-trihydroxy-8,9b-dimethyl-4H-dibenzouran-3-one > C20H22O8 > 390.388 > 390.13147 > 0 > O=C1C(=C(O)[C@@]2(C=3C(O)=C(C)C(=C(C3O[C@@]2(C1)OCC)C(=O)C)O)C)C(=O)C > InChI=1S/C20H22O8/c1-6-27-20-7-11(23)12(9(3)21)18(26)19(20,5)14-16(25)8(2)15(24)13(10(4)22)17(14)28-20/h24-26H,6-7H2,1-5H3/t19-,20+/m0/s1 > MYUPPPVXZSAJQS-VQTJNVASSA-N $$$$