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1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6191 -2.5383 1.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7259 -1.7487 -0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8693 -1.2367 0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3749 -0.8590 -0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7361 -1.7382 -2.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3472 -2.8359 -1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7955 -2.5065 -1.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3651 -2.5401 -0.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 -0.5852 -1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7050 2.7226 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0505 2.1354 1.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0316 2.1175 -0.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3727 1.5910 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1636 1.3072 2.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5517 -0.5051 4.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8783 -1.0102 2.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5028 0.6131 2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9323 -0.9235 3.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5148 -1.1775 3.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7124 0.7195 -1.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6525 0.7603 -2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1269 0.6346 -2.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8628 -0.1036 0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7390 -0.6857 -1.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5517 -1.8400 -0.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6513 -0.0717 0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1927 -0.1728 1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9549 -2.3976 0.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0286 -1.4335 2.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2139 -1.1025 -1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9607 1.0600 -0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2957 -0.2371 -1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4850 1.3016 -1.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9212 1.3430 1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7656 0.6318 -1.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3333 2.8305 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5697 2.9593 -2.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8840 1.7540 -3.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1999 1.2016 -3.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8565 -1.0911 2.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6918 1.1867 -0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2608 2.1190 -2.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1262 1.7333 -3.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4614 0.6160 -2.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0666 0.3160 1.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0076 1.1198 0.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2758 2.1292 0.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9207 1.5158 -1.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 10 1 6 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 30 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 9 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 4 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 58 2 1 0 0 0 0 54 6 1 0 0 0 0 23 18 1 0 0 0 0 50 27 1 0 0 0 0 51 21 1 0 0 0 0 47 31 1 0 0 0 0 44 33 1 0 0 0 0 42 35 1 0 0 0 0 1 60 1 0 0 0 0 1 61 1 0 0 0 0 1 62 1 0 0 0 0 2 63 1 6 0 0 0 4 64 1 1 0 0 0 6 65 1 1 0 0 0 7 66 1 0 0 0 0 7 67 1 0 0 0 0 8 68 1 0 0 0 0 8 69 1 0 0 0 0 9 70 1 6 0 0 0 12 71 1 0 0 0 0 12 72 1 0 0 0 0 12 73 1 0 0 0 0 13 74 1 0 0 0 0 13 75 1 0 0 0 0 16 76 1 0 0 0 0 17 77 1 0 0 0 0 17 78 1 0 0 0 0 19 79 1 0 0 0 0 20 80 1 0 0 0 0 24 81 1 0 0 0 0 28 82 1 0 0 0 0 29 83 1 0 0 0 0 31 84 1 1 0 0 0 32 85 1 0 0 0 0 32 86 1 0 0 0 0 33 87 1 1 0 0 0 35 88 1 1 0 0 0 36 89 1 0 0 0 0 36 90 1 0 0 0 0 39 91 1 6 0 0 0 40 92 1 0 0 0 0 40 93 1 0 0 0 0 40 94 1 0 0 0 0 42 95 1 1 0 0 0 44 96 1 6 0 0 0 45 97 1 1 0 0 0 46 98 1 0 0 0 0 46 99 1 0 0 0 0 46100 1 0 0 0 0 49101 1 0 0 0 0 54102 1 1 0 0 0 55103 1 0 0 0 0 55104 1 0 0 0 0 55105 1 0 0 0 0 56106 1 0 0 0 0 56107 1 0 0 0 0 57108 1 0 0 0 0 57109 1 0 0 0 0 M END > NP0010637 > NP-MRD > [H]OC(=O)C([H])([H])[C@@](O[C@]1([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]2([H])O[C@]([H])(C(=O)C([H])([H])C2([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H])(C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C2C(=O)C3=C(O[H])C(=C([H])C([H])=C3C(=O)C2=C1O[H])[C@]1([H])O[C@]([H])(C([H])([H])[H])[C@@]2([H])O[C@]3([H])O[C@]([H])(C(=O)C([H])([H])[C@]3([H])O[C@]2([H])C1([H])[H])C([H])([H])[H] > InChI=1S/C43H50O16/c1-18-26(44)10-12-33(53-18)57-28-11-13-34(54-20(28)3)59-43(5,17-32(46)47)16-22-6-7-24-35(37(22)48)39(50)25-9-8-23(38(49)36(25)40(24)51)29-15-30-41(21(4)52-29)58-42-31(56-30)14-27(45)19(2)55-42/h6-9,18-21,28-31,33-34,41-42,48-49H,10-17H2,1-5H3,(H,46,47)/t18-,19-,20-,21+,28-,29+,30+,31-,33-,34-,41+,42-,43+/m0/s1 > RTZAMMXBZUIQSH-HIAMVLHPSA-N > C43H50O16 > 822.857 > 822.30988553 > 16 > 109 > 87.83020357980877 > 0 > 3 > 0 > 0 > (3R)-4-{6-[(1R,3R,5S,8S,10R,12R,14R)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0^{3,8}]tetradecan-12-yl]-1,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl}-3-methyl-3-{[(2S,5S,6S)-6-methyl-5-{[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]oxy}butanoic acid > 3.40 > 6.118291708999999 > -4.34 > 1 > 8 > -1 > 7.594019792539589 > 3.4928850615943707 > -3.919342575354466 > 219.87999999999997 > 203.74080000000004 > 9 > 0 > 3.73e-02 g/l > (3R)-4-{6-[(1R,3R,5S,8S,10R,12R,14R)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0^{3,8}]tetradecan-12-yl]-1,5-dihydroxy-9,10-dioxoanthracen-2-yl}-3-methyl-3-{[(2S,5S,6S)-6-methyl-5-{[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]oxy}butanoic acid > 0 > NP0010637 > Grincamycin D $$$$