Ketcher 01231711402D 1 1.00000 0.00000 0 37 40 0 1 0 999 V2000 18.5614 -6.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5124 -6.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5614 -7.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1001 -7.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5125 -8.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8216 -9.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9633 -12.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6954 -12.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9633 -15.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2313 -14.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6954 -14.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3652 -12.8531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4274 -11.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6954 -8.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9633 -14.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0973 -13.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8293 -13.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0973 -12.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8293 -12.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6954 -9.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2313 -12.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6954 -11.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5614 -9.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8293 -9.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5614 -10.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8293 -10.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2934 -10.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2313 -8.3530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9633 -9.3530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6954 -6.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8293 -6.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0973 -7.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8294 -7.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9634 -6.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9633 -8.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0973 -6.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0972 -9.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 5 4 1 0 0 0 5 6 2 0 0 0 7 18 1 0 0 0 7 19 1 0 0 0 19 8 1 1 0 0 8 22 1 0 0 0 15 9 1 1 0 0 16 10 1 6 0 0 17 11 1 6 0 0 12 21 1 0 0 0 13 25 1 0 0 0 13 27 1 0 0 0 3 14 1 6 0 0 14 20 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 19 1 0 0 0 18 21 1 1 0 0 20 23 2 0 0 0 20 24 1 0 0 0 22 25 2 0 0 0 22 26 1 0 0 0 23 25 1 0 0 0 24 26 2 0 0 0 28 32 1 0 0 0 29 35 1 0 0 0 29 37 1 0 0 0 1 30 1 1 0 0 30 31 1 0 0 0 31 33 2 0 0 0 31 34 1 0 0 0 32 35 2 0 0 0 32 36 1 0 0 0 33 35 1 0 0 0 34 36 2 0 0 0 M END > CHEBI:132820 > matairesinoside > A lignan that is (?)-matairesinol in which one of the phenolic hydroxy groups has been replaced by a ?-D-glucosyl residue. > 3 > (-)-Matairesinoside > 4-({(3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenyl beta-D-glucopyranoside > C26H32O11 > 520.527 > 520.19446 > 0 > [C@@H]1(COC([C@@H]1CC2=CC(OC)=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C=C2)=O)CC4=CC(OC)=C(O)C=C4 > InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1 > AAGCATAPYOEULE-LHHMAMHXSA-N > 23202-85-9 > 1360031 > 23202-85-9 > C00032004 > 15481244; 15577246; 16753802; 16996096; 17489357; 17905350; 18057725; 20137791; 20607490; 22396124; 26762060 $$$$