CDK 1028232203 29 31 0 0 0 0 0 0 0 0999 V2000 5.0013 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -2.8875 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 4.2869 -3.7125 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 2.8579 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -1.2375 0.0000 O 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 2.8579 -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 5.7158 -3.7125 0.0000 O 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 3.5723 -4.9500 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 2.8579 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.0000 0.0000 C 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 4.2869 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 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 0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.8250 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 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 14 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 1 0 0 0 19 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 8 11 1 0 0 0 0 12 16 1 0 0 0 0 15 19 1 0 0 0 0 M END > CHEBI:200697 > Paeciloquinone B > 2 > 5-oxo-2-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)hexanoic acid > C20H16O9 > 400.339 > 400.07943 > 0 > O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(O)C3)[C@H](C(=O)O)CCC(=O)C > InChI=1S/C20H16O9/c1-7(21)2-3-9(20(28)29)14-13(24)6-11-16(18(14)26)19(27)15-10(17(11)25)4-8(22)5-12(15)23/h4-6,9,22-24,26H,2-3H2,1H3,(H,28,29)/t9-/m1/s1 > HTBJCSXYMPBHJQ-SECBINFHSA-N $$$$