Mrv1652309122216402D 27 29 0 0 0 0 999 V2000 3.4656 2.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4656 1.1759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7512 0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7512 -0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0367 -0.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0367 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7041 -1.7840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4492 -2.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6242 -2.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1393 -3.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3188 -3.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1661 -3.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9866 -3.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 -2.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1426 -2.8911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6276 -3.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8372 -2.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1728 -1.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6879 -0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0168 -2.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3693 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5846 -1.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4131 -0.7221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3222 -0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3222 0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0367 1.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0367 2.0009 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 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 17 20 2 0 0 0 0 11 20 1 0 0 0 0 9 21 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 5 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 3 26 1 0 0 0 0 26 27 1 0 0 0 0 M END > NP0329863 > NP-MRD > COC1=CC(=CC=C1O)C1OCC(CC2=CC=C(OC)C(OC)=C2)C1CO > InChI=1S/C21H26O6/c1-24-18-7-4-13(9-20(18)26-3)8-15-12-27-21(16(15)11-22)14-5-6-17(23)19(10-14)25-2/h4-7,9-10,15-16,21-23H,8,11-12H2,1-3H3 > SFMHPISSGZFAHZ-UHFFFAOYSA-N > C21H26O6 > 374.433 > 374.172938557 > 6 > 53 > 40.50691902789124 > 1 > 2 > 0 > 1 > 4-{4-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2-methoxyphenol > 2.451204371000001 > 1 > 3 > 0 > 15.364581612041757 > 9.910746652065956 > -2.639332687703713 > 77.38000000000001 > 101.67590000000001 > 7 > 1 > 4-{4-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2-methoxyphenol > 0 > NP0329863 > 4-{4-[(3,4-dimethoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2-methoxyphenol $$$$