Mrv1652309092222282D 46 51 0 0 1 0 999 V2000 4.7126 4.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0732 4.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2049 3.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 4.5578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 4.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7943 3.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5944 2.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 2.1818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3226 1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8237 1.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7141 1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1689 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3684 0.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7218 0.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3378 1.6185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6589 2.0873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1187 1.8817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4493 2.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1211 2.7316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3863 3.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3437 3.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 4.3794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6089 4.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5664 5.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1684 5.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8607 5.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8181 4.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 3.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0407 3.0330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 2.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4678 2.9593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6904 1.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0444 1.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0869 0.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6053 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3401 0.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3827 1.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1175 1.6866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1861 0.4807 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6950 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0111 0.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6593 0.7958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6109 1.6194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3484 1.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9952 1.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0508 0.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 11 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 6 19 1 0 0 0 0 19 20 1 6 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 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 23 28 1 0 0 0 0 29 28 1 4 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 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 36 37 2 0 0 0 0 32 37 1 0 0 0 0 37 38 1 0 0 0 0 11 39 1 0 0 0 0 39 40 1 1 0 0 0 39 41 1 0 0 0 0 42 41 1 6 0 0 0 43 42 1 6 0 0 0 8 43 1 0 0 0 0 43 44 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 M END > NP0290009 > NP-MRD > C[C@@H]1C[C@@H]2[C@H]([C@H]3C=C(COC(C)=O)[C@@H](OC(=O)C4=CC=CC=C4N=C(O)C4=CC=CC=C4N)[C@@]4(O)[C@@H](O)C(C)=CC14C3=O)C2(C)C > InChI=1S/C36H40N2O8/c1-18-16-35-19(2)14-25-28(34(25,4)5)24(30(35)41)15-21(17-45-20(3)39)31(36(35,44)29(18)40)46-33(43)23-11-7-9-13-27(23)38-32(42)22-10-6-8-12-26(22)37/h6-13,15-16,19,24-25,28-29,31,40,44H,14,17,37H2,1-5H3,(H,38,42)/t19-,24-,25-,28+,29+,31-,35?,36+/m1/s1 > LVSXYLAGPCBUBE-CWAHFJEMSA-N > C36H40N2O8 > 628.722 > 628.278466256 > 8 > 86 > 65.75231885485724 > 1 > 4 > 0 > 0 > N-[2-({[(4S,5S,6R,9R,10R,12R,14R)-7-[(acetyloxy)methyl]-4,5-dihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0^{1,5}.0^{10,12}]pentadeca-2,7-dien-6-yl]oxy}carbonyl)phenyl]-2-aminobenzene-1-carboximidic acid > 4.219508807333333 > 1 > 6 > 0 > 12.132895156501343 > 5.469448431314861 > 2.686930572573611 > 168.74000000000004 > 173.98940000000005 > 8 > 0 > N-[2-({[(4S,5S,6R,9R,10R,12R,14R)-7-[(acetyloxy)methyl]-4,5-dihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0^{1,5}.0^{10,12}]pentadeca-2,7-dien-6-yl]oxy}carbonyl)phenyl]-2-aminobenzenecarboximidic acid > 0 > NP0290009 > n-[2-({[(4s,5s,6r,9r,10r,12r,14r)-7-[(acetyloxy)methyl]-4,5-dihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-6-yl]oxy}carbonyl)phenyl]-2-aminobenzenecarboximidic acid $$$$