Mrv1652309022206112D 50 56 0 0 1 0 999 V2000 -1.1294 -3.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4739 -2.8866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9969 -2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3413 -1.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8643 -0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0429 -0.8672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4341 -0.1940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2475 -0.3317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0866 0.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5991 -0.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2422 1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5055 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7392 2.3429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3445 2.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8156 1.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1425 1.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2089 2.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0024 0.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6851 0.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9705 -0.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7801 -0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4283 -1.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3499 1.2902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2637 1.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9037 2.5168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0571 2.6888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8623 2.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9403 3.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1832 4.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3626 3.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1839 3.4770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 2.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3189 2.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 2.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9615 2.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7828 2.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6183 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0346 0.5278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7891 0.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1604 -0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9841 -0.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4364 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0651 1.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2414 1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0112 1.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5331 0.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0868 0.0893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3016 -1.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1754 -2.2899 0.0000 C 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 7 6 1 6 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 14 15 1 0 0 0 0 13 16 2 0 0 0 0 9 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 7 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 17 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 27 31 1 0 0 0 0 32 31 1 4 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 24 39 1 0 0 0 0 7 39 1 0 0 0 0 39 40 1 6 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 40 45 1 0 0 0 0 12 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 11 48 1 0 0 0 0 6 49 1 0 0 0 0 49 50 2 0 0 0 0 3 50 1 0 0 0 0 M END > NP0148441 > NP-MRD > COC1=CC=C(C=C1)[C@@]12OC3=CC4=C(OCO4)C(OC)=C3C(O)(C1OC(C)=O)[C@@H]([C@H]2C1=CC=CC=C1)C(=O)N1CCCC1N=C(O)CC(C)C > InChI=1S/C38H42N2O10/c1-21(2)18-29(42)39-28-12-9-17-40(28)35(43)32-30(23-10-7-6-8-11-23)38(24-13-15-25(45-4)16-14-24)36(49-22(3)41)37(32,44)31-26(50-38)19-27-33(34(31)46-5)48-20-47-27/h6-8,10-11,13-16,19,21,28,30,32,36,44H,9,12,17-18,20H2,1-5H3,(H,39,42)/t28?,30-,32+,36?,37?,38+/m1/s1 > CKBNTTYCPYJUBL-OMXMDTSFSA-N > C38H42N2O10 > 686.758 > 686.28394556 > 10 > 92 > 72.32599939434618 > 1 > 2 > 0 > 0 > N-{1-[(12R,13S,14R)-15-(acetyloxy)-1-hydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0^{2,10}.0^{4,8}]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl}-3-methylbutanimidic acid > 4.25 > 4.387126286333334 > -4.78 > 1 > 7 > 0 > 12.168298304184372 > 5.217075800246056 > 1.5551643795679628 > 145.57999999999998 > 178.79749999999993 > 10 > 0 > 1.13e-02 g/l > N-{1-[(12R,13S,14R)-15-(acetyloxy)-1-hydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0^{2,10}.0^{4,8}]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl}-3-methylbutanimidic acid > 0 > NP0148441 > n-{1-[(12r,13s,14r)-15-(acetyloxy)-1-hydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl}-3-methylbutanimidic acid $$$$