Mrv1652304292201222D 58 64 0 0 1 0 999 V2000 -0.2615 -0.1510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2615 -0.9760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5635 -0.9760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5635 -0.1510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2780 0.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9924 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7069 0.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9924 -0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -2.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5635 -2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9333 1.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7198 2.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0771 2.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2906 3.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2927 3.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 3.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 2.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 4.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6626 5.0002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4491 5.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0324 6.3804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8293 6.1669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0428 5.3700 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4595 4.7867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6730 3.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8397 5.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4127 6.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8189 7.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4023 7.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8449 -1.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6314 -2.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2147 -2.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0116 -2.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2251 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6418 -1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 -3.3094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3919 -3.0959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9752 -3.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7721 -3.4657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9856 -2.6689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4023 -2.0855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6054 -2.2990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0220 -1.7157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6158 -1.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7825 -2.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3555 -4.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1524 -3.8356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8449 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6314 1.2293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2147 1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0012 2.6095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0116 1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2251 0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6418 0.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0220 0.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2355 -0.2082 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 1 0 0 0 0 1 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 6 8 1 0 0 0 0 8 9 2 0 0 0 0 3 9 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 4 12 1 1 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 14 19 1 0 0 0 0 17 20 1 0 0 0 0 21 20 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 21 26 1 0 0 0 0 26 27 1 1 0 0 0 25 28 1 1 0 0 0 24 29 1 1 0 0 0 23 30 1 1 0 0 0 30 31 1 0 0 0 0 2 32 1 1 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 35 38 1 0 0 0 0 39 38 1 1 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 39 44 1 0 0 0 0 44 45 1 1 0 0 0 43 46 1 1 0 0 0 42 47 1 1 0 0 0 41 48 1 6 0 0 0 48 49 1 0 0 0 0 1 50 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 50 56 2 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 M END > NP0078271 > NP-MRD > COC1=CC(=O)OC(=C1)[C@@H]1[C@@H]([C@H]2C(OC)=CC(=O)O[C@@]12\C=C\C1=CC=C(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C=C1)C1=CC=C(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C=C1 > InChI=1S/C40H44O18/c1-51-22-13-24(55-27(43)14-22)31-29(19-5-9-21(10-6-19)54-39-37(50)35(48)33(46)26(17-42)57-39)30-23(52-2)15-28(44)58-40(30,31)12-11-18-3-7-20(8-4-18)53-38-36(49)34(47)32(45)25(16-41)56-38/h3-15,25-26,29-39,41-42,45-50H,16-17H2,1-2H3/b12-11+/t25-,26+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39-,40+/m0/s1 > QSUGKMAXQFCARZ-JYHYBLPFSA-N > C40H44O18 > 812.774 > 812.252764577 > 16 > 102 > 79.81920697213509 > 0 > 8 > 0 > 0 > (1R,6S,7R,8R)-5-methoxy-8-(4-methoxy-2-oxo-2H-pyran-6-yl)-7-(4-{[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1-[(E)-2-(4-{[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]-2-oxabicyclo[4.2.0]oct-4-en-3-one > 1.53 > -1.1220749376666668 > -3.89 > 1 > 7 > 0 > 12.421312841034847 > 11.899111777766795 > -2.981092343686494 > 269.82 > 199.27700000000002 > 12 > 0 > 1.04e-01 g/l > (1R,6S,7R,8R)-5-methoxy-8-(4-methoxy-6-oxopyran-2-yl)-7-(4-{[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1-[(E)-2-(4-{[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]-2-oxabicyclo[4.2.0]oct-4-en-3-one > 0 > NP0078271 > Achyrodimer E $$$$