Mrv1652309032208262D 25 27 0 0 1 0 999 V2000 5.0013 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1599 4.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 2.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 O 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 3.6425 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1274 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 -0.2549 0.0000 O 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 2.1434 -0.4125 0.0000 C 0 0 0 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 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 -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 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 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 10 11 1 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 15 16 1 0 0 0 0 16 17 1 0 0 0 0 13 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 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 12 25 1 0 0 0 0 19 25 2 0 0 0 0 M END > NP0170295 > NP-MRD > CC(=O)OC(C)(C)[C@H](O)COC1=C2C=COC2=CC2=C1C=CC(=O)O2 > InChI=1S/C18H18O7/c1-10(19)25-18(2,3)15(20)9-23-17-11-4-5-16(21)24-14(11)8-13-12(17)6-7-22-13/h4-8,15,20H,9H2,1-3H3/t15-/m1/s1 > CBXPWAIJBALCRV-OAHLLOKOSA-N > C18H18O7 > 346.335 > 346.10525292 > 4 > 43 > 34.72043220339546 > 1 > 1 > 0 > 1 > (3R)-3-hydroxy-2-methyl-4-({7-oxo-7H-furo[3,2-g]chromen-4-yl}oxy)butan-2-yl acetate > 2.71 > 1.6026518996666663 > -3.59 > 1 > 3 > 0 > 13.203009534408558 > -2.8321397458346826 > 95.20000000000002 > 87.31619999999998 > 6 > 1 > 8.82e-02 g/l > (3R)-3-hydroxy-2-methyl-4-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl acetate > 0 > NP0170295 > (3r)-3-hydroxy-2-methyl-4-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl acetate $$$$