Mrv1652309122217462D 36 39 0 0 1 0 999 V2000 -1.4087 1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 0.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 -1.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8838 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 -2.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 -0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0587 0.0165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6462 0.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0587 1.4455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6462 2.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 2.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8837 1.4455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2962 2.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2962 0.7310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1212 0.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8837 0.0165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2962 -0.6979 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 6 5 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 12 17 1 0 0 0 0 17 18 2 0 0 0 0 8 18 1 0 0 0 0 18 19 1 0 0 0 0 6 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 0 0 0 0 5 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 3 24 1 0 0 0 0 24 25 1 0 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 1 0 0 0 29 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 6 0 0 0 31 33 1 0 0 0 0 33 34 1 1 0 0 0 33 35 1 0 0 0 0 26 35 1 0 0 0 0 35 36 1 6 0 0 0 M END > NP0330432 > NP-MRD > COC1=CC(=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1OC2=C(O)C=C(CCCO)C=C2[C@H]1CO > InChI=1S/C25H32O11/c1-33-18-9-13(4-5-17(18)34-25-22(32)21(31)20(30)19(11-28)35-25)23-15(10-27)14-7-12(3-2-6-26)8-16(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19-,20-,21+,22-,23+,25-/m1/s1 > FQDMAUIPHMDBJV-SCXLGCMQSA-N > C25H32O11 > 508.52 > 508.19446185 > 11 > 68 > 52.9014992155784 > 0 > 7 > 0 > 0 > (2S,3R,4S,5S,6R)-2-{4-[(2R,3S)-7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -0.4574357189999998 > 1 > 4 > 0 > 12.201905436328516 > 9.98017341831775 > -2.377416081814137 > 178.53 > 125.1564 > 9 > 0 > (2S,3R,4S,5S,6R)-2-{4-[(2R,3S)-7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > NP0330432 > (2s,3r,4s,5s,6r)-2-{4-[(2r,3s)-7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol $$$$