Mrv1652304282223572D 32 38 0 0 1 0 999 V2000 4.1961 0.0014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4403 -0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7945 0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3091 0.9990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1150 0.8224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5968 0.8112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6796 0.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4355 0.3949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9331 -0.2192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0002 -1.0624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8231 -1.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4490 -0.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2475 0.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 -1.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6498 -0.5494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0824 0.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -0.1956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4374 1.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6770 1.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7739 0.8699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9783 1.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1583 1.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4673 2.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2873 2.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0841 0.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8243 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3725 -1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1805 -1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0162 -0.8289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7564 -1.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5359 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7279 0.5707 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 1 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 7 1 6 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 15 14 1 6 0 0 0 1 15 1 0 0 0 0 15 16 1 0 0 0 0 6 16 1 0 0 0 0 16 17 2 0 0 0 0 8 18 1 0 0 0 0 18 19 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 6 0 0 0 4 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 3 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 2 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 25 31 1 0 0 0 0 31 32 1 0 0 0 0 M END > NP0076759 > NP-MRD > COC(=O)N1C2=C(C=CC(OC)=C2OC)[C@@]23[C@@H]4CN5CCC[C@]6(CC[C@]12[C@@](O)(C6)C4=O)[C@@H]35 > InChI=1S/C24H28N2O6/c1-30-15-6-5-13-16(17(15)31-2)26(20(28)32-3)23-9-8-21-7-4-10-25-11-14(24(13,23)19(21)25)18(27)22(23,29)12-21/h5-6,14,19,29H,4,7-12H2,1-3H3/t14-,19+,21-,22+,23-,24+/m1/s1 > YLJWOCCSTOUKHL-CXOYHDQASA-N > C24H28N2O6 > 440.496 > 440.19473663 > 7 > 60 > 45.547965918750876 > 1 > 1 > 0 > 1 > methyl (1R,2S,3R,11S,12S,14R)-12-hydroxy-7,8-dimethoxy-13-oxo-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 > 1.20 > 1.257839820333333 > -2.39 > 0 > 7 > 1 > 14.796253636989896 > 12.247881797952441 > 8.383575077412955 > 88.54 > 112.9958 > 3 > 1 > 1.78e+00 g/l > methyl (1R,2S,3R,11S,12S,14R)-12-hydroxy-7,8-dimethoxy-13-oxo-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 > NP0076759 > (+)-Kopsinidine B $$$$