Mrv1572004221603212D 100107 0 0 1 0 999 V2000 6.4302 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0993 -7.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1447 3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7158 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -7.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5724 -6.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7158 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 -7.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8592 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4302 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -6.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8579 -7.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8592 3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4302 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -5.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -7.8375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2868 -6.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2868 -7.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5690 -8.2002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 4.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 4.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -7.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -4.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -7.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18 1 1 0 0 0 0 19 2 1 0 0 0 0 20 3 1 6 0 0 0 21 4 1 6 0 0 0 22 5 1 6 0 0 0 23 6 1 6 0 0 0 24 7 1 1 0 0 0 25 10 2 0 0 0 0 25 11 1 0 0 0 0 26 10 1 0 0 0 0 26 12 2 0 0 0 0 27 11 1 0 0 0 0 28 13 1 0 0 0 0 29 12 1 0 0 0 0 29 18 2 0 0 0 0 30 14 1 0 0 0 0 31 16 1 0 0 0 0 32 15 1 0 0 0 0 33 13 1 0 0 0 0 34 14 1 0 0 0 0 35 15 1 0 0 0 0 36 16 1 0 0 0 0 37 17 1 0 0 0 0 38 26 1 0 0 0 0 39 25 1 0 0 0 0 40 18 1 0 0 0 0 40 38 2 0 0 0 0 41 19 1 0 0 0 0 42 20 1 0 0 0 0 42 28 1 0 0 0 0 43 21 1 0 0 0 0 43 30 1 0 0 0 0 44 23 1 0 0 0 0 44 31 1 0 0 0 0 45 22 1 0 0 0 0 45 32 1 0 0 0 0 46 38 1 0 0 0 0 46 39 2 0 0 0 0 47 39 1 0 0 0 0 48 41 1 0 0 0 0 49 27 1 0 0 0 0 49 48 1 0 0 0 0 50 27 1 0 0 0 0 50 47 1 0 0 0 0 51 24 1 0 0 0 0 52 8 1 1 0 0 0 52 17 1 0 0 0 0 52 51 1 0 0 0 0 19 53 1 6 0 0 0 28 54 1 6 0 0 0 55 40 1 0 0 0 0 41 56 1 6 0 0 0 42 57 1 6 0 0 0 43 58 1 1 0 0 0 44 59 1 6 0 0 0 45 60 1 6 0 0 0 61 46 1 0 0 0 0 62 47 2 0 0 0 0 63 48 2 0 0 0 0 51 64 1 6 0 0 0 52 65 1 6 0 0 0 66 9 1 0 0 0 0 49 66 1 1 0 0 0 67 20 1 0 0 0 0 67 33 1 0 0 0 0 68 21 1 0 0 0 0 68 34 1 0 0 0 0 69 22 1 0 0 0 0 69 35 1 0 0 0 0 70 23 1 0 0 0 0 70 36 1 0 0 0 0 71 24 1 0 0 0 0 71 37 1 0 0 0 0 72 29 1 0 0 0 0 34 72 1 6 0 0 0 30 73 1 6 0 0 0 33 73 1 6 0 0 0 31 74 1 6 0 0 0 35 74 1 6 0 0 0 32 75 1 6 0 0 0 37 75 1 1 0 0 0 36 76 1 6 0 0 0 50 76 1 6 0 0 0 19 77 1 6 0 0 0 20 78 1 1 0 0 0 21 79 1 1 0 0 0 22 80 1 1 0 0 0 23 81 1 1 0 0 0 24 82 1 6 0 0 0 83 27 1 0 0 0 0 28 84 1 1 0 0 0 30 85 1 1 0 0 0 31 86 1 1 0 0 0 32 87 1 1 0 0 0 33 88 1 1 0 0 0 34 89 1 1 0 0 0 35 90 1 1 0 0 0 36 91 1 1 0 0 0 37 92 1 6 0 0 0 41 93 1 6 0 0 0 42 94 1 6 0 0 0 43 95 1 1 0 0 0 44 96 1 6 0 0 0 45 97 1 6 0 0 0 49 98 1 1 0 0 0 50 99 1 6 0 0 0 51100 1 1 0 0 0 M END > CHEM016841 > chemdb > [H][C@](C)(O)[C@]([H])(O)C(=O)[C@@]([H])(OC)C1([H])CC2=CC3=CC(O[C@@]4([H])C[C@@]([H])(O[C@@]5([H])C[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(C)O5)[C@@]([H])(O)[C@@]([H])(C)O4)=C(C)C(O)=C3C(O)=C2C(=O)[C@@]1([H])O[C@@]1([H])C[C@@]([H])(O[C@@]2([H])C[C@@]([H])(O[C@@]3([H])C[C@](C)(O)[C@]([H])(O)[C@@]([H])(C)O3)[C@]([H])(O)[C@@]([H])(C)O2)[C@]([H])(O)[C@@]([H])(C)O1 > InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27?,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43+,44-,45-,49+,50+,51-,52+/m1/s1 > CFCUWKMKBJTWLW-GWRQQDNDSA-N > C52H76O24 > 1085.156 > 1084.472653327 > 24 > 152 > 110.03630354126994 > 0 > 11 > 0 > 0 > (2S)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2-{[(2S,4R,5R,6R)-4-{[(2S,4R,5R,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-6-{[(2S,4R,5S,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-8,9-dihydroxy-7-methyl-1,2,3,4-tetrahydroanthracen-1-one > -0.23 > 2.072890882666668 > -2.92 > 1 > 8 > 0 > 9.232235276682689 > 7.8401007026345875 > -3.5756061501231677 > 358.20000000000016 > 257.00910000000016 > 15 > 0 > 1.30e+00 g/l > plicamycin > 0 > Plicamycin > 18378-89-7 $$$$