Mrv1652309072217282D 26 29 0 0 1 0 999 V2000 9.1393 2.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6544 2.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8339 2.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3490 1.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5285 1.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1929 2.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3725 2.6255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8204 2.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.3479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3523 1.9354 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 2.6378 0.6979 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 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1530 3.1684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5399 3.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 3.3400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2955 4.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6779 3.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4983 3.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 3.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8038 3.7016 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 7 6 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 1 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 10 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 13 18 1 0 0 0 0 9 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 7 21 1 0 0 0 0 21 22 1 1 0 0 0 6 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 25 26 1 0 0 0 0 M END > NP0252081 > NP-MRD > COC1=CC=C(C=C1OC)[C@@H]1O[C@H]([C@@H](C)[C@H]1C)C1=CC=C2OCOC2=C1 > InChI=1S/C21H24O5/c1-12-13(2)21(15-6-8-17-19(10-15)25-11-24-17)26-20(12)14-5-7-16(22-3)18(9-14)23-4/h5-10,12-13,20-21H,11H2,1-4H3/t12-,13+,20-,21-/m1/s1 > HSMDOSKNXLVXIP-VMNLXKDOSA-N > C21H24O5 > 356.418 > 356.162373873 > 5 > 50 > 38.989442173907904 > 1 > 0 > 0 > 1 > 5-[(2R,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2H-1,3-benzodioxole > 4.136663865333334 > 0 > 4 > 0 > -3.9912993313398473 > 46.150000000000006 > 96.75560000000002 > 4 > 1 > 5-[(2R,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2H-1,3-benzodioxole > 0 > NP0252081 > 5-[(2r,3s,4r,5r)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2h-1,3-benzodioxole $$$$