Mrv1652304282204322D 31 35 0 0 1 0 999 V2000 -7.1447 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8592 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3981 0.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8353 0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0108 1.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.8875 0.0000 C 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 -2.8579 -1.6500 0.0000 C 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 -1.2375 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 -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 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6044 -2.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9918 -3.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 1 10 1 0 0 0 0 9 11 1 6 0 0 0 11 12 1 0 0 0 0 9 13 1 1 0 0 0 5 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 4 17 1 0 0 0 0 17 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 19 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 3 31 1 0 0 0 0 M END > NP0056949 > NP-MRD > CC1(C)OC2=CC=C(C=C2C=C1)C1=COC2=C3C=C[C@](C)(CO)OC3=CC(O)=C2C1=O > InChI=1S/C25H22O6/c1-24(2)8-6-15-10-14(4-5-19(15)30-24)17-12-29-23-16-7-9-25(3,13-26)31-20(16)11-18(27)21(23)22(17)28/h4-12,26-27H,13H2,1-3H3/t25-/m1/s1 > FECHDMKKULRSDG-RUZDIDTESA-N > C25H22O6 > 418.445 > 418.141638428 > 6 > 53 > 45.47070014075024 > 1 > 2 > 0 > 1 > (8R)-3-(2,2-dimethyl-2H-chromen-6-yl)-5-hydroxy-8-(hydroxymethyl)-8-methyl-4H,8H-pyrano[2,3-h]chromen-4-one > 4.08 > 4.438339870333334 > -5.00 > 0 > 5 > 0 > 14.313402001413682 > 7.552846080354378 > -3.0991195464839754 > 85.22 > 118.0516 > 2 > 1 > 4.14e-03 g/l > (8R)-3-(2,2-dimethylchromen-6-yl)-5-hydroxy-8-(hydroxymethyl)-8-methylpyrano[2,3-h]chromen-4-one > 0 > NP0056949 > Ulexone D $$$$