Mrv0541 05061304472D 22 24 0 0 0 0 999 V2000 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.3000 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 5.7158 2.4750 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 3.5724 1.2375 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 0.7145 1.2375 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 2.0625 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 5.0013 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 2.1434 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 6.4302 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.3000 0.0000 O 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 5.0013 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 2 0 0 0 0 8 2 1 0 0 0 0 8 5 2 0 0 0 0 9 4 2 0 0 0 0 9 6 1 0 0 0 0 10 3 1 0 0 0 0 11 7 1 0 0 0 0 11 10 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 13 10 2 0 0 0 0 14 6 2 0 0 0 0 15 12 2 0 0 0 0 15 14 1 0 0 0 0 16 11 1 0 0 0 0 16 15 1 0 0 0 0 17 8 1 0 0 0 0 18 9 1 0 0 0 0 19 12 1 0 0 0 0 20 16 2 0 0 0 0 21 1 1 0 0 0 0 21 13 1 0 0 0 0 22 7 1 0 0 0 0 22 14 1 0 0 0 0 M END > NP0045390 > NP-MRD > COC1=C(C=CC(O)=C1)C1COC2=CC(O)=CC(O)=C2C1=O > InChI=1S/C16H14O6/c1-21-13-5-8(17)2-3-10(13)11-7-22-14-6-9(18)4-12(19)15(14)16(11)20/h2-6,11,17-19H,7H2,1H3 > VODZWHSRITUHNI-UHFFFAOYSA-N > C16H14O6 > 302.2788 > 302.07903818 > 6 > 29.630596849961336 > 1 > 3 > 0 > 1 > 5,7-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one > 2.48 > 2.5699868483333326 > -3.31 > 0 > 3 > 0 > 9.432385299310093 > 7.893577284696494 > -3.8648991031021565 > 96.22 > 78.1397 > 2 > 1 > 1.48e-01 g/l > isoferreirin > 0 > NP0045390 > Isoferreirin $$$$