Mrv2104 12212312002D 33 35 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 -2.1353 -1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7484 -2.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3068 -0.9576 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 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 17 23 1 1 0 0 0 17 24 1 0 0 0 0 24 15 1 0 0 0 0 24 25 1 1 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 27 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 25 33 1 0 0 0 0 M END > NP0332266 > NP-MRD > [H][C@@]1(CO[C@@H](C2=CC(OC)=C(O)C=C2)[C@]1([H])COC(C)=O)[C@H](O)C1=CC=C(OC)C(OC)=C1 > InChI=1S/C23H28O8/c1-13(24)30-12-17-16(22(26)14-6-8-19(27-2)21(9-14)29-4)11-31-23(17)15-5-7-18(25)20(10-15)28-3/h5-10,16-17,22-23,25-26H,11-12H2,1-4H3/t16-,17+,22+,23-/m0/s1 > CQGOQFKROGFLJV-QOKUDNMUSA-N > C23H28O8 > 432.469 > 432.178417862 > 7 > 59 > 45.36762231340297 > 1 > 2 > 0 > 1 > [(2R,3S,4R)-4-[(S)-(3,4-dimethoxyphenyl)(hydroxy)methyl]-2-(4-hydroxy-3-methoxyphenyl)oxolan-3-yl]methyl acetate > 1.703075441333333 > 1 > 3 > 0 > 14.092182586328974 > 9.910717951847417 > -3.1958918463365342 > 103.68 > 112.24409999999999 > 9 > 1 > [(2R,3S,4R)-4-[(S)-(3,4-dimethoxyphenyl)(hydroxy)methyl]-2-(4-hydroxy-3-methoxyphenyl)oxolan-3-yl]methyl acetate > 0 > NP0332266 > Compound 2 $$$$