Mrv1652304282223562D 33 39 0 0 1 0 999 V2000 -0.3957 -1.6896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2772 -1.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8524 -1.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5093 -0.6157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6963 -0.7025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3263 -1.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0655 -1.3149 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5069 -1.9110 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6317 -2.7268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4706 -2.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1144 -2.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9079 -1.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2151 -2.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5219 -3.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -2.1504 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0091 -1.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7937 -0.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 -0.4942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8472 -0.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4177 0.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 0.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 0.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5058 0.8132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9165 1.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6522 -1.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8767 -2.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3014 -2.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5016 -2.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6764 -2.5785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9009 -3.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2274 -0.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0272 -1.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 4 1 6 0 0 0 1 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 1 9 1 0 0 0 0 9 10 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 8 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 2 0 0 0 0 16 14 1 6 0 0 0 1 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 5 19 1 0 0 0 0 19 20 1 0 0 0 0 8 20 1 6 0 0 0 19 21 1 6 0 0 0 4 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 3 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 2 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 26 32 1 0 0 0 0 32 33 1 0 0 0 0 M END > NP0076757 > NP-MRD > COC(=O)N1C2=C(C=CC(OC)=C2OC)[C@]23[C@H]4N5CCC[C@]44CC[C@]12[C@@](O)(C4)C(=O)[C@H]3C5=O > InChI=1S/C24H26N2O7/c1-31-13-6-5-12-15(16(13)32-2)26(20(29)33-3)23-9-8-21-7-4-10-25-18(28)14(24(12,23)19(21)25)17(27)22(23,30)11-21/h5-6,14,19,30H,4,7-11H2,1-3H3/t14-,19-,21+,22+,23-,24-/m0/s1 > CCUOWHJXVXKSCD-HDJRXPMHSA-N > C24H26N2O7 > 454.479 > 454.174001185 > 7 > 59 > 45.74726149535441 > 1 > 1 > 0 > 1 > methyl (1R,2S,3R,11S,12S,14S)-12-hydroxy-7,8-dimethoxy-13,15-dioxo-10,16-diazaheptacyclo[9.8.2.1^{1,12}.0^{2,16}.0^{3,11}.0^{3,14}.0^{4,9}]docosa-4(9),5,7-triene-10-carboxylate > 1.19 > 0.661966559333333 > -2.49 > 0 > 7 > 0 > 14.63378385434444 > 12.241075479316942 > -2.59070892988122 > 105.61000000000003 > 112.8271 > 3 > 1 > 1.47e+00 g/l > methyl (1R,2S,3R,11S,12S,14S)-12-hydroxy-7,8-dimethoxy-13,15-dioxo-10,16-diazaheptacyclo[9.8.2.1^{1,12}.0^{2,16}.0^{3,11}.0^{3,14}.0^{4,9}]docosa-4(9),5,7-triene-10-carboxylate > 0 > NP0076757 > (+)-Kopsinarine $$$$