Mrv1572004221605182D 107114 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 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 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 -3.5724 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1468 -10.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 4.9500 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 -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 7.1447 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -9.0750 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 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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 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 7.8592 3.7125 0.0000 C 0 0 1 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 -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 -2.1434 -10.3125 0.0000 C 0 0 1 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 -1.4289 -9.9000 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 -3.5724 -11.1375 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 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 5.7158 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 -9.7567 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 0.0000 -1.6500 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 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 -2.8579 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -11.1375 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 -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 7.8592 1.2375 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 6.4302 2.0625 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 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 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 -3.5724 -9.4875 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 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 7.1447 1.6500 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 -1.4289 -5.7750 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 -3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -8.2500 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 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 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 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 -2.8579 -10.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20 1 1 0 0 0 0 21 2 1 0 0 0 0 22 3 1 6 0 0 0 23 4 1 6 0 0 0 24 5 1 6 0 0 0 25 6 1 6 0 0 0 26 7 1 6 0 0 0 27 8 1 0 0 0 0 28 12 2 0 0 0 0 28 13 1 0 0 0 0 29 12 1 0 0 0 0 29 14 2 0 0 0 0 30 13 1 0 0 0 0 31 15 1 0 0 0 0 32 14 1 0 0 0 0 32 20 2 0 0 0 0 33 17 1 0 0 0 0 34 16 1 0 0 0 0 35 18 1 0 0 0 0 36 15 1 0 0 0 0 37 16 1 0 0 0 0 38 18 1 0 0 0 0 39 17 1 0 0 0 0 40 19 1 0 0 0 0 41 29 1 0 0 0 0 42 28 1 0 0 0 0 43 20 1 0 0 0 0 43 41 2 0 0 0 0 44 21 1 0 0 0 0 45 23 1 0 0 0 0 45 33 1 0 0 0 0 46 22 1 0 0 0 0 46 34 1 0 0 0 0 47 41 1 0 0 0 0 47 42 2 0 0 0 0 48 42 1 0 0 0 0 49 44 1 0 0 0 0 50 24 1 0 0 0 0 50 31 1 0 0 0 0 51 25 1 0 0 0 0 51 35 1 0 0 0 0 30 52 1 6 0 0 0 52 49 1 0 0 0 0 53 30 1 0 0 0 0 53 48 1 0 0 0 0 54 26 1 0 0 0 0 56 9 1 1 0 0 0 56 19 1 0 0 0 0 56 54 1 0 0 0 0 21 57 1 6 0 0 0 58 27 2 0 0 0 0 31 59 1 6 0 0 0 60 43 1 0 0 0 0 44 61 1 6 0 0 0 45 62 1 6 0 0 0 46 63 1 6 0 0 0 64 47 1 0 0 0 0 65 48 2 0 0 0 0 66 49 2 0 0 0 0 67 55 2 0 0 0 0 68 55 1 0 0 0 0 56 69 1 6 0 0 0 70 10 1 0 0 0 0 50 70 1 1 0 0 0 71 11 1 0 0 0 0 52 71 1 1 0 0 0 72 22 1 0 0 0 0 72 37 1 0 0 0 0 73 23 1 0 0 0 0 73 39 1 0 0 0 0 74 24 1 0 0 0 0 74 36 1 0 0 0 0 75 25 1 0 0 0 0 75 38 1 0 0 0 0 76 26 1 0 0 0 0 76 40 1 0 0 0 0 77 27 1 0 0 0 0 54 77 1 1 0 0 0 78 32 1 0 0 0 0 38 78 1 6 0 0 0 33 79 1 6 0 0 0 37 79 1 6 0 0 0 34 80 1 6 0 0 0 40 80 1 1 0 0 0 35 81 1 6 0 0 0 36 81 1 1 0 0 0 39 82 1 6 0 0 0 53 82 1 6 0 0 0 51 83 1 1 0 0 0 83 55 1 0 0 0 0 21 84 1 6 0 0 0 22 85 1 1 0 0 0 23 86 1 1 0 0 0 24 87 1 1 0 0 0 25 88 1 1 0 0 0 26 89 1 1 0 0 0 30 90 1 1 0 0 0 31 91 1 1 0 0 0 33 92 1 1 0 0 0 34 93 1 1 0 0 0 35 94 1 1 0 0 0 36 95 1 6 0 0 0 37 96 1 1 0 0 0 38 97 1 1 0 0 0 39 98 1 1 0 0 0 40 99 1 6 0 0 0 44100 1 6 0 0 0 45101 1 6 0 0 0 46102 1 6 0 0 0 50103 1 1 0 0 0 51104 1 1 0 0 0 52105 1 1 0 0 0 53106 1 6 0 0 0 54107 1 6 0 0 0 M END > CHEM018945 > chemdb > [H][C@](C)(O)[C@]([H])(O)C(=O)[C@@]([H])(OC)[C@]1([H])CC2=CC3=CC(O[C@@]4([H])C[C@@]([H])(O[C@]5([H])C[C@@]([H])(O)[C@@]([H])(OC)[C@@]([H])(C)O5)[C@@]([H])(OC(O)=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])(OC(C)=O)[C@]([H])(C)O3)[C@]([H])(O)[C@@]([H])(C)O2)[C@]([H])(O)[C@@]([H])(C)O1 > InChI=1S/C56H80O27/c1-20-32(78-38-18-35(51(25(6)75-38)83-55(67)68)81-36-15-31(59)50(70-10)24(5)74-36)14-29-12-28-13-30(52(71-11)49(66)44(61)21(2)57)53(48(65)42(28)47(64)41(29)43(20)60)82-39-17-33(45(62)23(4)73-39)79-37-16-34(46(63)22(3)72-37)80-40-19-56(9,69)54(26(7)76-40)77-27(8)58/h12,14,21-26,30-31,33-40,44-46,50-54,57,59-64,69H,13,15-19H2,1-11H3,(H,67,68)/t21-,22-,23-,24-,25-,26+,30+,31-,33-,34-,35-,36-,37+,38+,39+,40+,44+,45-,46-,50+,51+,52+,53+,54+,56+/m1/s1 > VWUDFIOZFAFOMW-QUOOOCNJSA-N > C56H80O27 > 1185.229 > 1184.488697316 > 25 > 163 > 118.93516686470396 > 0 > 9 > 0 > 0 > (2S,3S,4S,6S)-6-{[(2R,3R,4R,6S)-6-{[(2R,3R,4R,6S)-6-{[(2S,3S)-6-{[(2S,4R,5S,6R)-5-(carboxyoxy)-4-{[(2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-8,9-dihydroxy-7-methyl-1-oxo-1,2,3,4-tetrahydroanthracen-2-yl]oxy}-3-hydroxy-2-methyloxan-4-yl]oxy}-3-hydroxy-2-methyloxan-4-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl acetate > 1.57 > 4.071665286999998 > -3.48 > 1 > 8 > -1 > 7.852649705141901 > 6.312455219132173 > -3.2564651070667487 > 379.5700000000002 > 276.91780000000006 > 20 > 0 > 3.89e-01 g/l > chromomycin A3 > 0 > Chromomycin A3 > 7059-24-7 $$$$