CDK 1029232202 67 75 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 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 2 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 -6.4304 -6.6001 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 -6.4304 -7.4252 0.0000 C 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 -7.1449 -7.8377 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 -7.1449 -8.6627 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 2 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 6.4304 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1449 1.2375 0.0000 O 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 7.1449 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7159 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 3.3001 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 33 1 1 0 0 0 37 35 1 1 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 37 40 1 0 0 0 0 37 41 1 0 0 0 0 42 38 1 0 0 0 0 39 43 1 0 0 0 0 44 40 1 0 0 0 0 41 45 2 0 0 0 0 46 42 1 0 0 0 0 42 47 1 6 0 0 0 44 48 1 0 0 0 0 44 49 1 6 0 0 0 46 50 1 6 0 0 0 48 51 2 0 0 0 0 52 50 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 1 0 0 0 0 57 55 1 0 0 0 0 55 58 1 6 0 0 0 57 59 1 6 0 0 0 60 59 1 1 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 63 61 1 0 0 0 0 62 64 2 0 0 0 0 63 65 1 0 0 0 0 63 66 1 6 0 0 0 65 67 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 43 46 1 0 0 0 0 45 48 1 0 0 0 0 56 57 1 0 0 0 0 64 65 1 0 0 0 0 M END > CHEBI:203954 > PI-087 > 2 > (3R,4aR,12bS)-4a,8,12b-trihydroxy-9-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione > C49H58O18 > 934.985 > 934.36232 > 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@@H](O[C@@H]7O[C@H](C(=O)C=C7)C)CC6)C)CC5)C)(C)C4)O)[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@H](C(=O)C=C9)C)[C@@H](C8)O)C > InChI=1S/C49H58O18/c1-22-30(50)9-13-37(60-22)64-33-11-15-38(62-24(33)3)65-34-12-16-40(63-25(34)4)67-47(6)20-36(53)49(58)42-29(17-18-48(49,57)21-47)44(55)41-28(45(42)56)8-7-27(43(41)54)35-19-32(52)46(26(5)59-35)66-39-14-10-31(51)23(2)61-39/h7-10,13-14,17-18,22-26,32-35,37-40,46,52,54,57-58H,11-12,15-16,19-21H2,1-6H3/t22-,23-,24-,25-,26+,32+,33-,34-,35+,37-,38-,39-,40-,46+,47-,48-,49-/m0/s1 > UKWGAYLBMIKNLS-XURVNGJNSA-N $$$$