CDK 1030232203 59 67 0 0 0 0 0 0 0 0999 V2000 -4.2870 -1.2375 0.0000 O 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 -3.5724 -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 -4.2870 -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 -2.1435 -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 -5.0014 -2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2870 -3.7126 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 -3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.2375 0.0000 C 0 0 1 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 -3.5724 -4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0014 -4.1251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4290 -2.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7159 -3.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0014 -4.9501 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 0.0000 -1.2375 0.0000 C 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 -0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4304 -4.1251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7159 -5.3626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4304 -4.9501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1449 -3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7159 -6.1876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 O 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 -7.1449 -5.3626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4304 -6.6001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1449 -6.1876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4304 -7.4252 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 2.1435 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8594 -6.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1449 -7.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -1.6500 0.0000 C 0 0 2 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 -7.8594 -7.4252 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1449 -8.6627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 2 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 -8.5738 -7.8377 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 4.2870 -1.2375 0.0000 C 0 0 2 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 5.7159 -1.2375 0.0000 C 0 0 2 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 -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 6.4304 0.0000 0.0000 O 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 13 7 1 0 0 0 0 8 14 2 0 0 0 0 10 15 2 0 0 0 0 16 10 1 1 0 0 0 11 17 2 0 0 0 0 13 18 1 1 0 0 0 13 19 1 0 0 0 0 20 13 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 25 1 1 0 0 0 20 26 1 0 0 0 0 27 21 1 0 0 0 0 28 22 1 0 0 0 0 29 24 1 0 0 0 0 30 27 1 0 0 0 0 27 31 1 1 0 0 0 28 32 1 1 0 0 0 29 33 1 0 0 0 0 29 34 1 6 0 0 0 30 35 1 6 0 0 0 36 32 1 1 0 0 0 37 33 1 1 0 0 0 38 35 1 1 0 0 0 36 39 1 0 0 0 0 37 40 1 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 39 43 1 0 0 0 0 44 40 1 0 0 0 0 41 45 1 0 0 0 0 46 42 1 0 0 0 0 43 47 2 0 0 0 0 48 44 1 0 0 0 0 44 49 1 6 0 0 0 46 50 1 6 0 0 0 48 51 1 6 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 55 53 1 0 0 0 0 54 56 2 0 0 0 0 55 57 1 0 0 0 0 55 58 1 6 0 0 0 57 59 2 0 0 0 0 7 11 1 0 0 0 0 12 15 1 0 0 0 0 14 20 1 0 0 0 0 26 29 1 0 0 0 0 28 30 1 0 0 0 0 36 38 1 0 0 0 0 43 46 1 0 0 0 0 45 48 1 0 0 0 0 56 57 1 0 0 0 0 M END > CHEBI:225311 > (3R,4aR,12bS)-9-[(1R,3R,5S,8S,10R,12R,14R)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]-4a,8,12b-trihydroxy-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione > 2 > (3R,4aR,12bS)-9-[(1R,3R,5S,8S,10R,12R,14R)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]-4a,8,12b-trihydroxy-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione > C43H48O16 > 820.841 > 820.29424 > 0 > O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O)C(=O)C[C@@](O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H](C(=O)C=C6)C)CC5)C)(C)C4)O)[C@@H]7O[C@@H]([C@H]8O[C@@H]9O[C@@H](C)C(C[C@@H]9O[C@@H]8C7)=O)C > InChI=1S/C43H48O16/c1-18-25(44)8-10-32(53-18)57-27-9-11-33(54-20(27)3)59-41(5)16-31(46)43(51)35-24(12-13-42(43,50)17-41)37(48)34-23(38(35)49)7-6-22(36(34)47)28-15-29-39(21(4)52-28)58-40-30(56-29)14-26(45)19(2)55-40/h6-8,10,12-13,18-21,27-30,32-33,39-40,47,50-51H,9,11,14-17H2,1-5H3/t18-,19-,20-,21+,27-,28+,29+,30-,32-,33-,39+,40-,41-,42-,43-/m0/s1 > WUQKUPKWGZHYBN-NIVOMPQSSA-N $$$$