CDK 1030232200 25 27 0 0 0 0 0 0 0 0999 V2000 1.4290 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -2.4751 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 1.4290 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.8876 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 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -2.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 O 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 5.0014 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 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 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 8 14 2 0 0 0 0 8 15 1 0 0 0 0 10 16 2 0 0 0 0 11 17 2 0 0 0 0 13 18 1 0 0 0 0 13 19 2 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 19 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 7 11 1 0 0 0 0 12 16 1 0 0 0 0 14 19 1 0 0 0 0 M END > CHEBI:207591 > Lupinacidin A > 2 > 1,3,5-trihydroxy-2-methyl-4-(3-methylbutyl)anthracene-9,10-dione > C20H20O5 > 340.375 > 340.13107 > 0 > O=C1C2=C(O)C=CC=C2C(=O)C3=C1C(=C(O)C(=C3O)C)CCC(C)C > InChI=1S/C20H20O5/c1-9(2)7-8-12-15-16(18(23)10(3)17(12)22)19(24)11-5-4-6-13(21)14(11)20(15)25/h4-6,9,21-23H,7-8H2,1-3H3 > WWUQQOQPOGZVSK-UHFFFAOYSA-N $$$$