Mrv1652304282204322D 31 35 0 0 1 0 999 V2000 -1.4289 3.3000 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 -0.7145 2.0625 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 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 4.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7065 4.6057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0420 3.8520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 5.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5315 6.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8334 4.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4045 5.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.3000 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 0.7145 2.0625 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 2.1434 2.0625 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 2.8579 0.8250 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 3.5724 2.0625 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 4.2868 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.0625 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 4.2868 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8258 1.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4385 0.5379 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 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 1 0 0 0 0 8 9 1 0 0 0 0 1 9 1 0 0 0 0 8 10 1 1 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 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 > NP0056950 > NP-MRD > CC(C)(O)[C@H]1CC2=C3OC=C(C(=O)C3=C(O)C=C2O1)C1=CC=C2OC(C)(C)C=CC2=C1 > InChI=1S/C25H24O6/c1-24(2)8-7-14-9-13(5-6-18(14)31-24)16-12-29-23-15-10-20(25(3,4)28)30-19(15)11-17(26)21(23)22(16)27/h5-9,11-12,20,26,28H,10H2,1-4H3/t20-/m1/s1 > RHNKNAQMIBBEOO-HXUWFJFHSA-N > C25H24O6 > 420.461 > 420.157288493 > 6 > 55 > 46.10060226245136 > 1 > 2 > 0 > 1 > (8R)-3-(2,2-dimethyl-2H-chromen-6-yl)-5-hydroxy-8-(2-hydroxypropan-2-yl)-4H,8H,9H-furo[2,3-h]chromen-4-one > 4.44 > 4.533660426666667 > -5.04 > 0 > 5 > 0 > 14.296671592726735 > 7.65012209701518 > -3.1064374597658855 > 85.22 > 116.90679999999999 > 2 > 1 > 3.86e-03 g/l > (8R)-3-(2,2-dimethylchromen-6-yl)-5-hydroxy-8-(2-hydroxypropan-2-yl)-8H,9H-furo[2,3-h]chromen-4-one > 0 > NP0056950 > Ulexone C $$$$