Mrv1652310051713342D 24 26 0 0 0 0 999 V2000 -3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 3.3000 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 -1.4289 -0.0000 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 1.4289 0.8250 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 -2.1434 -0.4125 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 2.1434 1.2375 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 -0.7145 1.2375 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 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 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 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 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 1.4289 3.3000 0.0000 O 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 2.8579 2.4750 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 4 3 2 0 0 0 0 8 3 1 0 0 0 0 8 5 2 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 7 2 0 0 0 0 12 4 1 0 0 0 0 12 9 2 0 0 0 0 13 6 2 0 0 0 0 13 8 1 0 0 0 0 14 7 1 0 0 0 0 15 10 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 17 11 1 0 0 0 0 17 16 2 0 0 0 0 18 9 1 0 0 0 0 19 10 2 0 0 0 0 20 11 1 0 0 0 0 21 16 1 0 0 0 0 22 1 1 0 0 0 0 22 12 1 0 0 0 0 23 2 1 0 0 0 0 23 17 1 0 0 0 0 24 13 1 0 0 0 0 24 14 1 0 0 0 0 M END > NP0052301 > NP-MRD > COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C(OC)=C2O > InChI=1S/C17H14O7/c1-22-12-4-3-8(5-9(12)18)13-6-10(19)15-14(24-13)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3 > VCWFILUULGOFCD-UHFFFAOYSA-N > C17H14O7 > 330.292 > 330.073952791 > 7 > 38 > 32.785443084025914 > 1 > 3 > 0 > 1 > 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-chromen-4-one > 3.05 > 2.391346602333333 > -3.71 > 0 > 3 > 0 > 8.628587920829947 > 7.099702748409074 > -4.551542096889165 > 105.45000000000002 > 85.8403 > 3 > 1 > 6.42e-02 g/l > desmethoxycentaureidin > 0 > NP0052301 > 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one $$$$