CDK 1030232201 53 58 0 0 0 0 0 0 0 0999 V2000 6.4304 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -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 5.7159 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.8250 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 6.4304 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 -1.6500 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 1 0 0 0 0 0 0 0 0 0 6.4304 -2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 O 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 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 -1.6500 0.0000 O 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 10.0029 -1.2375 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 10.7173 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0029 -0.4125 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 11.4318 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 0.0000 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 12.1462 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4318 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1462 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0029 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4318 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8608 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1462 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4318 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8608 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1462 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5753 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8608 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1462 3.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5753 2.4751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2897 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5753 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2897 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2897 4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0042 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0042 5.7751 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 6 0 0 0 17 22 1 0 0 0 0 19 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 28 31 2 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 30 34 2 0 0 0 0 31 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 2 0 0 0 0 35 38 1 0 0 0 0 36 39 2 0 0 0 0 36 40 1 0 0 0 0 38 41 1 0 0 0 0 40 42 1 0 0 0 0 41 43 2 0 0 0 0 42 44 1 0 0 0 0 42 45 2 0 0 0 0 43 46 1 0 0 0 0 47 45 1 0 0 0 0 47 48 1 6 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 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 31 34 1 0 0 0 0 38 40 2 0 0 0 0 43 45 1 0 0 0 0 M END > CHEBI:210542 > 6,6'-oxybis(1,3,8-trihydroxy-2-((S)-1-hydroxyhexyl)anthracene-9,10-dione) > 2 > 1,3,8-trihydroxy-2-[(1S)-1-hydroxyhexyl]-6-[4,5,7-trihydroxy-6-[(1S)-1-hydroxyhexyl]-9,10-dioxoanthracen-2-yl]oxyanthracene-9,10-dione > C40H38O13 > 726.731 > 726.23124 > 0 > O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(OC4=CC(O)=C5C(=O)C=6C(O)=C([C@@H](O)CCCCC)C(=CC6C(C5=C4)=O)O)C3)[C@@H](O)CCCCC > InChI=1S/C40H38O13/c1-3-5-7-9-23(41)33-27(45)15-21-31(39(33)51)37(49)29-19(35(21)47)11-17(13-25(29)43)53-18-12-20-30(26(44)14-18)38(50)32-22(36(20)48)16-28(46)34(40(32)52)24(42)10-8-6-4-2/h11-16,23-24,41-46,51-52H,3-10H2,1-2H3/t23-,24-/m0/s1 > IBUCESIIJVZXSR-ZEQRLZLVSA-N $$$$