Mrv1652309092212572D 47 53 0 0 1 0 999 V2000 -1.1332 -3.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4776 -2.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0007 -2.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3451 -1.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8681 -0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0467 -0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4303 -0.0069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2438 -0.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8586 0.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5953 0.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2852 0.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2385 1.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5018 1.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 2.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1449 2.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8118 1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 1.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2764 2.5196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9986 0.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8211 0.6969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3461 1.4773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2040 2.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0115 1.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5617 2.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3043 3.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4968 3.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0534 2.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0308 0.7149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7670 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2193 1.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3478 0.3391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2152 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9487 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5346 -0.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1632 0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5409 1.1980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8113 0.5438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7427 1.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2964 2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6742 3.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4724 2.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 1.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5293 0.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0830 0.2765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2978 -1.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1792 -2.1028 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 17 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 22 27 1 0 0 0 0 21 28 1 0 0 0 0 7 28 1 0 0 0 0 28 29 1 6 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 31 35 1 0 0 0 0 36 35 1 4 0 0 0 36 37 2 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 40 42 1 0 0 0 0 12 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 11 45 1 0 0 0 0 6 46 1 0 0 0 0 46 47 2 0 0 0 0 3 47 1 0 0 0 0 M END > NP0283624 > NP-MRD > COC1=CC=C(C=C1)[C@@]12OC3=CC4=C(OCO4)C(OC)=C3C(O)(C1O)[C@@H]([C@H]2C(=O)N1CCCC1N=C(O)CC(C)C)C1=CC=CC=C1 > InChI=1S/C36H40N2O9/c1-20(2)17-27(39)37-26-11-8-16-38(26)33(40)30-28(21-9-6-5-7-10-21)35(42)29-24(18-25-31(32(29)44-4)46-19-45-25)47-36(30,34(35)41)22-12-14-23(43-3)15-13-22/h5-7,9-10,12-15,18,20,26,28,30,34,41-42H,8,11,16-17,19H2,1-4H3,(H,37,39)/t26?,28-,30+,34?,35?,36+/m1/s1 > OGUVNAOFGVQDDN-FDYHJKDWSA-N > C36H40N2O9 > 644.721 > 644.273380876 > 10 > 87 > 68.69511814302251 > 1 > 3 > 0 > 0 > N-{1-[(12R,13R,14S)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-14-phenyl-5,7,11-trioxatetracyclo[10.2.1.0^{2,10}.0^{4,8}]pentadeca-2,4(8),9-triene-13-carbonyl]pyrrolidin-2-yl}-3-methylbutanimidic acid > 3.9460008760000003 > 1 > 7 > 0 > 12.136488131311909 > 5.350739609401606 > 1.4667723982290817 > 139.51 > 169.64600000000004 > 8 > 0 > N-{1-[(12R,13R,14S)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-14-phenyl-5,7,11-trioxatetracyclo[10.2.1.0^{2,10}.0^{4,8}]pentadeca-2,4(8),9-triene-13-carbonyl]pyrrolidin-2-yl}-3-methylbutanimidic acid > 0 > NP0283624 > n-{1-[(12r,13r,14s)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-14-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-13-carbonyl]pyrrolidin-2-yl}-3-methylbutanimidic acid $$$$