Mrv1652304292201212D 47 52 0 0 1 0 999 V2000 0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2978 -1.8209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -2.4042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1311 -1.8209 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6939 -1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1064 -2.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9314 -2.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3439 -1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9314 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1064 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1689 -1.8209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -3.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -4.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -4.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1228 -1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5353 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3603 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7728 -1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3603 -2.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5353 -2.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5978 -1.8209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0103 -2.5353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8353 -2.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2478 -3.2498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8353 -3.9643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0103 -3.9643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5978 -3.2498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7728 -3.2498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5978 -4.6787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2478 -4.6787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0728 -3.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4853 -3.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 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 6 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 5 10 1 0 0 0 0 8 11 1 0 0 0 0 3 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 12 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 2 21 1 6 0 0 0 21 22 2 0 0 0 0 22 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 21 26 1 0 0 0 0 24 27 1 0 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 28 33 1 0 0 0 0 33 34 1 6 0 0 0 32 35 1 6 0 0 0 31 36 1 1 0 0 0 30 37 1 6 0 0 0 37 38 1 0 0 0 0 1 39 1 1 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 39 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 M END > NP0078269 > NP-MRD > COC1=CC(=O)OC(=C1)[C@H]1[C@@H]([C@H]([C@@H]1C1=CC=C(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C=C1)C1=CC(OC)=CC(=O)O1)C1=CC=C(O)C=C1 > InChI=1S/C34H34O13/c1-42-20-11-22(45-25(37)13-20)29-27(16-3-7-18(36)8-4-16)30(23-12-21(43-2)14-26(38)46-23)28(29)17-5-9-19(10-6-17)44-34-33(41)32(40)31(39)24(15-35)47-34/h3-14,24,27-36,39-41H,15H2,1-2H3/t24-,27-,28+,29-,30+,31-,32+,33+,34+/m1/s1 > VIGTUGDPCRCLDT-UXQCYBCXSA-N > C34H34O13 > 650.633 > 650.199941155 > 11 > 81 > 65.55328617818876 > 0 > 5 > 0 > 0 > 4-methoxy-6-[(1S,2r,3R,4r)-2-(4-hydroxyphenyl)-3-(4-methoxy-2-oxo-2H-pyran-6-yl)-4-(4-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)cyclobutyl]-2H-pyran-2-one > 2.83 > 1.2486667866666665 > -4.31 > 1 > 6 > -1 > 10.31048396503025 > -4.395499343421256 > 4.499307765898721 > 190.67 > 167.69440000000003 > 9 > 0 > 3.19e-02 g/l > 4-methoxy-6-[(1S,2r,3R,4r)-2-(4-hydroxyphenyl)-3-(4-methoxy-6-oxopyran-2-yl)-4-(4-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)cyclobutyl]pyran-2-one > 0 > NP0078269 > Achyrodimer B $$$$