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0 0 0 0 0 0 0 0 0 0 0 0 -0.2963 -2.1522 -3.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3986 3.0740 -1.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1157 1.7886 -0.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5889 -3.9890 -2.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1872 -5.3364 -1.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0992 -4.3248 -2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3961 3.5567 2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3234 -2.6648 -1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -1.1390 -0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0557 1.3618 2.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0833 -0.0878 0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6241 -1.2136 1.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6141 2.5208 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0876 -2.9310 1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5112 -1.4513 2.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2003 -0.5858 1.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9826 -3.2916 0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 1.6745 -4.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7618 2.7100 -3.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3235 2.9863 -2.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7845 -2.3216 2.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2522 -3.8817 2.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2415 -2.4293 2.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9324 5.2183 -0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4073 5.6471 1.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8924 4.8182 0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6230 -2.1286 -1.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5053 -3.4320 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9105 -3.1400 -0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4530 1.5266 2.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0074 2.1465 2.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6062 0.5487 3.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8499 1.6858 -1.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0289 2.8547 0.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5538 3.5114 1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 3.6219 3.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0727 2.2913 2.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6356 -2.5022 -0.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7221 -2.0223 3.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2401 -3.4589 2.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0466 -2.2271 3.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2221 2.3310 2.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1078 0.1128 -1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9924 1.0696 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0198 0.0793 0.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6855 4.0106 -1.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2322 4.2551 -0.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 3.0941 -2.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9696 5.4392 -0.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2827 3.8136 -1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4933 4.6353 -0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5417 -1.6419 1.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4952 -1.0606 0.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3248 0.0253 0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 24 1 0 0 0 0 2 18 1 0 0 0 0 2 23 1 0 0 0 0 3 17 1 0 0 0 0 3 78 1 0 0 0 0 4 23 1 0 0 0 0 4 33 1 0 0 0 0 5 24 1 0 0 0 0 5 38 1 0 0 0 0 6 36 1 0 0 0 0 6 39 1 0 0 0 0 7 22 1 0 0 0 0 7 49 1 0 0 0 0 8 28 1 0 0 0 0 8103 1 0 0 0 0 9 29 1 0 0 0 0 9104 1 0 0 0 0 10 31 1 0 0 0 0 10105 1 0 0 0 0 11 34 1 0 0 0 0 11106 1 0 0 0 0 12 35 2 0 0 0 0 13 39 2 0 0 0 0 14 32 1 0 0 0 0 14 50 1 0 0 0 0 14 99 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 16 52 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 20 1 0 0 0 0 18 53 1 0 0 0 0 19 21 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 56 1 0 0 0 0 21 35 1 0 0 0 0 21 41 1 0 0 0 0 21 57 1 0 0 0 0 22 26 1 0 0 0 0 22 28 1 0 0 0 0 22 42 1 0 0 0 0 23 26 1 0 0 0 0 23 58 1 0 0 0 0 24 29 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 33 1 0 0 0 0 28 68 1 0 0 0 0 29 32 1 0 0 0 0 29 69 1 0 0 0 0 30 34 1 0 0 0 0 30 35 1 0 0 0 0 30 43 1 0 0 0 0 30 70 1 0 0 0 0 31 34 1 0 0 0 0 31 36 1 0 0 0 0 31 44 1 0 0 0 0 32 37 1 0 0 0 0 32 72 1 0 0 0 0 33 46 1 0 0 0 0 33 71 1 0 0 0 0 34 73 1 0 0 0 0 36 45 1 0 0 0 0 36 74 1 0 0 0 0 37 38 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 38 47 1 0 0 0 0 38 77 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 41 82 1 0 0 0 0 41 83 1 0 0 0 0 41 84 1 0 0 0 0 42 85 1 0 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 43 88 1 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 44 91 1 0 0 0 0 44 92 1 0 0 0 0 44 93 1 0 0 0 0 45 48 1 0 0 0 0 45 94 1 0 0 0 0 45 95 1 0 0 0 0 46 96 1 0 0 0 0 46 97 1 0 0 0 0 46 98 1 0 0 0 0 47100 1 0 0 0 0 47101 1 0 0 0 0 47102 1 0 0 0 0 48107 1 0 0 0 0 48108 1 0 0 0 0 48109 1 0 0 0 0 49110 1 0 0 0 0 49111 1 0 0 0 0 49112 1 0 0 0 0 50113 1 0 0 0 0 50114 1 0 0 0 0 50115 1 0 0 0 0 M END > DBMET01656 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/TXOOBKBDBNRQCF-QNPWSHAKSA-N/SDF?record_type=3d > CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](NC)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O > InChI=1S/C36H65NO13/c1-13-24-36(10,44)29(40)19(4)26(38)17(2)15-34(8,43)31(50-33-27(39)23(37-11)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-35(9,45-12)30(41)22(7)47-25/h17-25,27-31,33,37,39-41,43-44H,13-16H2,1-12H3/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1 > TXOOBKBDBNRQCF-QNPWSHAKSA-N > C36H65NO13 > 719.91 > 719.445591157 > 13 > 115 > 1.0021046016418211 > 78.14253197256856 > 0 > 6 > 0 > 0 > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-6-{[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione > 2.213340910000001 > 1 > 1 > 3 > 1 > 12.923732965784836 > 12.453803872258865 > 9.629243103747388 > 202.69999999999996 > 180.7424000000001 > 7 > 0 > N-demethylerythromycin a > 0 $$$$