Mrv1652307012117483D 77 80 0 0 0 0 999 V2000 -9.4561 -1.4334 1.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0444 -0.1131 1.7048 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6707 -0.0542 1.4779 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0448 0.9306 2.4579 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4559 0.6340 3.8821 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6776 0.7789 2.3753 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1631 0.7776 1.0973 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9305 1.4391 1.0353 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7262 0.8642 0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5101 -0.4621 0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 -0.9412 0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1388 -0.1194 0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -0.6289 -0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3061 -1.9845 -0.4035 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1853 0.2323 -0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5119 -0.2204 -0.4217 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9315 -0.2301 -1.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1532 0.1516 -2.6999 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2677 -0.6742 -2.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5487 -0.8668 -3.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7807 -1.2801 -3.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7893 -1.5161 -3.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0330 -1.9365 -3.4483 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5400 -1.3331 -1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5613 -1.5496 -0.6414 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4693 -0.3816 -0.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6054 0.3755 0.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8358 0.0411 1.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5183 1.5400 0.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2692 -0.9095 -1.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9179 1.5530 0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9166 2.3492 0.1342 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7159 2.0016 0.4138 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3381 1.2228 0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6006 1.6950 0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7819 3.1599 1.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1298 1.2898 0.0485 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5709 1.2173 -1.2192 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4545 0.5706 0.1107 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4232 -0.4809 -0.8315 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3889 -0.5873 -1.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4166 -1.6065 -2.8125 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2770 0.2967 -1.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5514 -1.4305 2.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0003 -1.8462 2.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2896 -2.0760 1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1838 -1.0450 1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3985 1.9325 2.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5194 -0.4390 4.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3652 1.2060 4.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6331 1.0222 4.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9972 -0.2903 0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3055 -1.1913 0.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1021 -2.0096 -0.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2352 -2.3209 -0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1425 -0.5303 0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7693 -0.6865 -4.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0350 -1.4406 -4.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7934 -2.1291 -2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0724 -1.6772 0.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1099 -2.4933 -0.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0293 -0.1350 -1.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1399 -0.9755 1.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0705 0.8037 2.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7545 0.0411 1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8746 1.7063 -0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4083 1.4115 1.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9675 2.4519 0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0664 -0.7604 -0.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9044 3.6905 0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6315 3.2871 1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8688 3.5489 1.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3195 2.3566 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7313 0.6714 -1.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3176 1.2093 -0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5884 -1.8085 -3.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2885 -2.1635 -2.9314 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 4 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 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 3 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 24 30 2 0 0 0 0 15 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 7 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 39 3 1 0 0 0 0 35 9 1 0 0 0 0 34 12 1 0 0 0 0 30 19 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 3 47 1 6 0 0 0 4 48 1 6 0 0 0 5 49 1 0 0 0 0 5 50 1 0 0 0 0 5 51 1 0 0 0 0 7 52 1 6 0 0 0 10 53 1 0 0 0 0 11 54 1 0 0 0 0 14 55 1 0 0 0 0 16 56 1 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 23 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 37 73 1 1 0 0 0 38 74 1 0 0 0 0 39 75 1 6 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 M END > NP0003784 > NP-MRD > [H]OC1=C([H])C([H])=C(C([H])=C1C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])C1=C(O[H])C2=C([H])C([H])=C(O[C@@]3([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(OC([H])([H])[H])[C@]([H])(OC(=O)N([H])[H])[C@]3([H])O[H])C(=C2OC1=O)C([H])([H])[H] > InChI=1S/C30H34N2O11/c1-13(2)6-7-16-12-17(8-10-19(16)33)27(36)32-21-22(34)18-9-11-20(14(3)24(18)42-28(21)37)41-29-23(35)26(43-30(31)38)25(39-5)15(4)40-29/h6,8-12,15,23,25-26,29,33-35H,7H2,1-5H3,(H2,31,38)(H,32,36)/t15-,23+,25-,26-,29-/m1/s1 > ZYFOUWFPBOFFGB-KUFHLPEQSA-N > C30H34N2O11 > 598.605 > 598.216259923 > 9 > 77 > 63.16938449196381 > 1 > 5 > 0 > 0 > (2R,3S,4R,5R,6R)-3-hydroxy-2-({4-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-8-methyl-2-oxo-2H-chromen-7-yl}oxy)-5-methoxy-6-methyloxan-4-yl carbamate > 2.76 > 2.9832344976666665 > -4.57 > 1 > 4 > -1 > 8.24413738981154 > 5.5382777184050145 > -3.9175543694077617 > 196.10000000000002 > 153.606 > 9 > 0 > 1.62e-02 g/l > (2R,3S,4R,5R,6R)-3-hydroxy-2-({4-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-8-methyl-2-oxochromen-7-yl}oxy)-5-methoxy-6-methyloxan-4-yl carbamate > 0 > NP0003784 > TPU-0031-B $$$$