Mrv1652309092222372D 34 37 0 0 1 0 999 V2000 2.5645 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 1.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4699 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0574 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7676 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1801 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0051 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4176 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2426 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6551 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4801 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2426 2.5559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6551 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4176 2.5559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0051 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0051 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1801 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7676 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0574 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 -0.2549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5249 -1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0769 -1.6527 0.0000 O 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 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 3 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 20 19 1 6 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 1 1 0 0 0 26 28 1 0 0 0 0 20 28 1 0 0 0 0 28 29 1 1 0 0 0 18 30 1 0 0 0 0 30 31 2 0 0 0 0 15 31 1 0 0 0 0 14 32 1 0 0 0 0 11 32 1 0 0 0 0 32 33 1 6 0 0 0 33 34 1 0 0 0 0 M END > NP0290097 > NP-MRD > COC1=CC(CCCO)=CC2=C1O[C@H]([C@H]2CO)C1=CC=C(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C=C1 > InChI=1S/C25H32O9/c1-13-20(28)21(29)22(30)25(32-13)33-16-7-5-15(6-8-16)23-18(12-27)17-10-14(4-3-9-26)11-19(31-2)24(17)34-23/h5-8,10-11,13,18,20-23,25-30H,3-4,9,12H2,1-2H3/t13-,18-,20-,21+,22+,23-,25-/m0/s1 > UZKFZGJIIPOGLV-WOXHNLKXSA-N > C25H32O9 > 476.522 > 476.20463261 > 9 > 66 > 49.94945718962221 > 1 > 5 > 0 > 1 > (2S,3R,4R,5R,6S)-2-{4-[(2R,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]phenoxy}-6-methyloxane-3,4,5-triol > 0.8930395693333327 > 1 > 4 > 0 > 13.263278773779742 > 12.213098408730371 > -2.3774160823365182 > 138.07000000000002 > 121.63180000000001 > 8 > 1 > (2S,3R,4R,5R,6S)-2-{4-[(2R,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]phenoxy}-6-methyloxane-3,4,5-triol > 0 > NP0290097 > (2s,3r,4r,5r,6s)-2-{4-[(2r,3r)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]phenoxy}-6-methyloxane-3,4,5-triol $$$$