Mrv2104 12212312022D 30 32 0 0 1 0 999 V2000 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 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 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 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 3.5724 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3819 -1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -2.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0206 -0.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -1.7224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7376 -1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3507 -2.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5363 -2.3058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -2.5070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1830 -3.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1526 -3.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 -4.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0032 -5.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8237 -5.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1528 -4.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6377 -5.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4884 -3.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0034 -3.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 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 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 9 12 2 0 0 0 0 3 12 1 0 0 0 0 13 2 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 13 16 1 6 0 0 0 13 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 17 20 1 1 0 0 0 17 21 1 0 0 0 0 21 15 1 0 0 0 0 21 22 1 1 0 0 0 22 23 2 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 24 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 22 30 1 0 0 0 0 M END > NP0332274 > NP-MRD > [H][C@@]1(CO[C@@H](C2=CC(OC)=C(O)C=C2)[C@]1([H])CO)[C@H](O)C1=CC=C(OC)C(OC)=C1 > InChI=1S/C21H26O7/c1-25-17-7-5-12(8-19(17)27-3)20(24)15-11-28-21(14(15)10-22)13-4-6-16(23)18(9-13)26-2/h4-9,14-15,20-24H,10-11H2,1-3H3/t14-,15+,20-,21+/m1/s1 > VXNZZNFSNWJGNR-CALQCPNCSA-N > C21H26O7 > 390.432 > 390.167853177 > 7 > 54 > 41.008086924251415 > 1 > 3 > 0 > 1 > 4-[(2R,3S,4R)-4-[(S)-(3,4-dimethoxyphenyl)(hydroxy)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol > 1.2619500310000002 > 1 > 3 > 0 > 14.069389776694074 > 9.910716771831664 > -2.641369821635834 > 97.61000000000001 > 103.09259999999999 > 7 > 1 > 4-[(2R,3S,4R)-4-[(S)-(3,4-dimethoxyphenyl)(hydroxy)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol > 0 > NP0332274 > Compound 4 $$$$