Mrv1533004191521572D 41 44 0 0 0 0 999 V2000 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 -4.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7309 -4.9820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 -4.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0408 -5.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8109 -4.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5955 -3.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7670 -3.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5516 -2.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7231 -2.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1101 -1.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2816 -0.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0662 -0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6793 -1.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4639 -0.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0770 -1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8616 -1.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6354 0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4201 0.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0224 0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1939 1.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9785 1.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5916 1.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1500 2.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2377 0.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6246 0.8993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3254 -1.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7123 -1.2245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9277 -1.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1539 -2.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 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 2 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 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 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 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 27 32 1 0 0 0 0 20 32 1 0 0 0 0 32 33 1 0 0 0 0 18 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 34 37 2 0 0 0 0 15 37 1 0 0 0 0 6 38 1 0 0 0 0 38 39 2 0 0 0 0 3 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 M END > NP0218794 > NP-MRD > COC1=CC=C(CC2COC(=O)C2CC2=CC=C(OC3OC(CO)C(O)C(OC(C)=O)C3O)C(OC)=C2)C=C1OC > InChI=1S/C29H36O12/c1-15(31)39-27-25(32)24(13-30)41-29(26(27)33)40-21-8-6-17(12-23(21)37-4)10-19-18(14-38-28(19)34)9-16-5-7-20(35-2)22(11-16)36-3/h5-8,11-12,18-19,24-27,29-30,32-33H,9-10,13-14H2,1-4H3 > SOCUBULJWVPAAA-UHFFFAOYSA-N > C29H36O12 > 576.595 > 576.220676599 > 10 > 77 > 58.85541391014414 > 0 > 3 > 0 > 0 > 2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl acetate > 2.40 > 1.610733884000001 > -3.85 > 1 > 4 > 0 > 13.18790150092287 > 12.243672202009217 > -2.9811117241645446 > 159.44 > 141.41260000000003 > 12 > 0 > 8.11e-02 g/l > 2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl acetate > 0 > NP0218794 > 2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl acetate $$$$