Mrv1652304292200002D 36 39 0 0 1 0 999 V2000 -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 -2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.4125 0.0000 O 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 2 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 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 0.0000 -1.6500 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 0.7145 -0.4125 0.0000 C 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 1.4289 -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 2.1434 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9679 -1.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4051 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2296 -0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6169 -1.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4414 -1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1797 -2.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5806 -1.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 O 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 -2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 3.3000 0.0000 O 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 -5.7158 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 3.3000 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 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 1 7 1 0 0 0 0 6 8 1 6 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 8 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 11 17 1 0 0 0 0 16 18 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 16 24 1 1 0 0 0 10 25 1 0 0 0 0 2 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 1 29 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 26 36 1 0 0 0 0 M END > NP0076811 > NP-MRD > CC(C)=CCC[C@@]1(C)CCC2=CC(=CC(O)=C2O1)[C@@H]1CC(=O)C2=C(O1)C=C(O)C(CC=C(C)C)=C2O > InChI=1S/C30H36O6/c1-17(2)7-6-11-30(5)12-10-19-13-20(14-24(33)29(19)36-30)25-16-23(32)27-26(35-25)15-22(31)21(28(27)34)9-8-18(3)4/h7-8,13-15,25,31,33-34H,6,9-12,16H2,1-5H3/t25-,30-/m0/s1 > CIJNJHYOGDWGJS-QCDSWUKFSA-N > C30H36O6 > 492.612 > 492.251188879 > 6 > 72 > 56.623986797588806 > 1 > 3 > 0 > 0 > (2S)-5,7-dihydroxy-2-[(2S)-8-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one > 5.72 > 7.3252806533333334 > -5.38 > 1 > 4 > 0 > 9.221587479579862 > 7.678617053359557 > -4.641886110491476 > 96.22000000000001 > 142.68900000000002 > 6 > 0 > 2.07e-03 g/l > macaflavanone D > 0 > NP0076811 > (+)-Macaflavanone F $$$$