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0.4278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5122 -2.2902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2022 -4.1170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7459 3.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7898 2.0839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7606 -2.7580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5852 1.4897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0706 -0.9312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9538 -3.6493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1875 1.7868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9336 -5.0889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7735 -6.2449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1923 -7.5503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1145 -1.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3515 -3.9463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1583 -3.0551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2485 0.6216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9313 -6.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 12 1 0 0 0 0 15 14 1 0 0 0 0 16 12 1 0 0 0 0 17 14 1 0 0 0 0 19 18 1 0 0 0 0 21 20 1 0 0 0 0 24 13 2 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 30 1 1 0 0 0 0 30 2 1 0 0 0 0 30 15 2 0 0 0 0 31 3 1 0 0 0 0 31 17 1 0 0 0 0 31 18 2 0 0 0 0 32 4 1 0 0 0 0 32 16 1 0 0 0 0 32 23 2 0 0 0 0 33 5 2 0 0 0 0 33 19 1 0 0 0 0 33 22 1 0 0 0 0 34 6 1 6 0 0 0 35 7 1 4 0 0 0 36 8 1 4 0 0 0 37 20 1 0 0 0 0 38 21 1 0 0 0 0 39 27 1 1 0 0 0 40 28 1 1 0 0 0 41 29 1 0 0 0 0 42 37 2 0 0 0 0 42 38 1 0 0 0 0 45 39 1 0 0 0 0 46 43 1 0 0 0 0 47 44 1 0 0 0 0 48 45 1 0 0 0 0 50 49 1 0 0 0 0 51 48 1 0 0 0 0 52 49 1 0 0 0 0 53 34 1 0 0 0 0 53 46 1 0 0 0 0 54 40 1 0 0 0 0 54 47 1 0 0 0 0 55 50 1 0 0 0 0 57 56 1 0 0 0 0 55 59 1 6 0 0 0 60 41 1 0 0 0 0 58 61 1 6 0 0 0 62 43 1 0 0 0 0 63 44 1 0 0 0 0 64 51 1 0 0 0 0 65 52 1 0 0 0 0 66 56 1 0 0 0 0 68 9 1 0 0 0 0 68 10 1 0 0 0 0 68 24 1 0 0 0 0 68 25 1 0 0 0 0 69 11 1 6 0 0 0 69 57 1 0 0 0 0 69 58 1 0 0 0 0 70 67 2 0 0 0 0 71 35 2 0 0 0 0 43 71 1 1 0 0 0 72 36 2 0 0 0 0 44 72 1 6 0 0 0 73 42 1 4 0 0 0 73 59 2 0 0 0 0 74 27 1 0 0 0 0 75 35 1 0 0 0 0 76 36 1 0 0 0 0 77 37 1 0 0 0 0 78 38 2 0 0 0 0 45 79 1 6 0 0 0 46 80 1 6 0 0 0 47 81 1 1 0 0 0 48 82 1 6 0 0 0 49 83 1 1 0 0 0 50 84 1 1 0 0 0 51 85 1 6 0 0 0 52 86 1 6 0 0 0 87 59 1 0 0 0 0 88 60 2 0 0 0 0 89 60 1 0 0 0 0 90 61 2 0 0 0 0 91 61 1 0 0 0 0 92 67 1 0 0 0 0 69 93 1 1 0 0 0 96 26 1 0 0 0 0 41 96 1 6 0 0 0 97 28 1 0 0 0 0 64 97 1 1 0 0 0 98 29 1 0 0 0 0 99 34 1 0 0 0 0 99 62 1 0 0 0 0 100 39 1 0 0 0 0 100 64 1 0 0 0 0 101 40 1 0 0 0 0 101 63 1 0 0 0 0 53102 1 6 0 0 0 65102 1 1 0 0 0 54103 1 1 0 0 0 62103 1 6 0 0 0 104 55 1 0 0 0 0 104 65 1 0 0 0 0 56105 1 1 0 0 0 63105 1 1 0 0 0 106 58 1 0 0 0 0 106 66 1 0 0 0 0 57107 1 6 0 0 0 107 67 1 0 0 0 0 66108 1 1 0 0 0 109 94 1 0 0 0 0 109 95 2 0 0 0 0 109 98 1 0 0 0 0 109108 1 0 0 0 0 110 13 1 0 0 0 0 111 18 1 0 0 0 0 112 23 1 0 0 0 0 113 24 1 0 0 0 0 34114 1 1 0 0 0 39115 1 6 0 0 0 40116 1 6 0 0 0 41117 1 6 0 0 0 43118 1 6 0 0 0 44119 1 1 0 0 0 45120 1 1 0 0 0 46121 1 1 0 0 0 47122 1 6 0 0 0 48123 1 6 0 0 0 49124 1 6 0 0 0 50125 1 6 0 0 0 51126 1 1 0 0 0 52127 1 1 0 0 0 53128 1 6 0 0 0 54129 1 1 0 0 0 55130 1 6 0 0 0 56131 1 6 0 0 0 57132 1 1 0 0 0 58133 1 1 0 0 0 62134 1 1 0 0 0 63135 1 6 0 0 0 64136 1 6 0 0 0 65137 1 6 0 0 0 66138 1 6 0 0 0 M END > CHEM043989 > chemdb > [H]\C(CC\C(C)=C(/[H])CO[C@]([H])(COP(O)(=O)O[C@@]1([H])O[C@]([H])(C(O)=O)[C@@](C)(O)[C@]([H])(OC(O)=N)[C@@]1([H])O[C@]1([H])O[C@]([H])(CO[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]([H])(O[C@]2([H])O[C@]([H])(C)[C@@]([H])(O[C@]3([H])O[C@]([H])(C(O)=NC4=C(O)CCC4=O)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@]([H])(O)[C@@]1([H])N=C(C)O)C(O)=O)=C(\[H])C(C)(C)CCC(=C)C\C([H])=C(/C)CCC=C(C)C > InChI=1S/C69H107N4O35P/c1-30(2)15-14-17-31(3)18-19-33(5)22-25-68(9,10)24-13-12-16-32(4)23-26-96-41(60(88)89)29-98-109(94,95)108-66-56(57(107-67(70)92)69(11,93)58(106-66)61(90)91)105-63-44(72-36(8)76)47(81)54(40(101-63)28-97-64-51(85)48(82)45(79)39(27-74)100-64)103-62-43(71-35(7)75)46(80)53(34(6)99-62)102-65-52(86)49(83)50(84)55(104-65)59(87)73-42-37(77)20-21-38(42)78/h13,15,18,23-24,34,39-41,43-58,62-66,74,77,79-86,93H,5,12,14,16-17,19-22,25-29H2,1-4,6-11H3,(H2,70,92)(H,71,75)(H,72,76)(H,73,87)(H,88,89)(H,90,91)(H,94,95)/b24-13+,31-18+,32-23+/t34-,39-,40-,41-,43-,44-,45-,46-,47-,48+,49+,50-,51-,52-,53-,54-,55+,56-,57-,58-,62+,63+,64-,65-,66-,69+/m1/s1 > PERZMHJGZKHNGU-JGYWJTCASA-N > C69H107N4O35P > 1583.582 > 1582.645348159 > 37 > 216 > 156.61861768829695 > 0 > 19 > 0 > 0 > (2S,3S,4R,5R,6R)-6-({[(2R)-2-carboxy-2-{[(2E,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraen-1-yl]oxy}ethoxy](hydroxy)phosphoryl}oxy)-3-hydroxy-5-{[(2S,3R,4R,5S,6R)-4-hydroxy-5-{[(2S,3R,4R,5S,6R)-4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-methyl-5-{[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-C-hydroxycarbonimidoyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-3-[(1-hydroxyethylidene)amino]-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4-(C-hydroxycarbonimidoyloxy)-3-methyloxane-2-carboxylic acid > 1.86 > 1.6845936149999967 > -4.06 > 1 > 6 > -3 > 2.4869882931624834 > 1.5289349419848488 > -6.372807971339545 > 613.3400000000003 > 384.04369999999966 > 38 > 0 > 1.39e-01 g/l > flavomycin > 0 > Bambermycin > 11015-37-5 $$$$