Mrv1652309072217132D 25 27 0 0 0 0 999 V2000 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 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 0.0000 -2.4750 0.0000 O 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 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 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9559 -1.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4256 -2.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -2.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7683 -1.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5808 -1.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8630 -2.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6754 -2.5858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3327 -3.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6148 -3.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0845 -4.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5202 -2.9313 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 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 3 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 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 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 20 23 2 0 0 0 0 15 23 1 0 0 0 0 12 24 1 0 0 0 0 7 24 1 0 0 0 0 24 25 2 0 0 0 0 M END > NP0251884 > NP-MRD > COC1=CC(O)=C2C(=O)C(O)(CC3=CC=C(O)C(OC)=C3)COC2=C1 > InChI=1S/C18H18O7/c1-23-11-6-13(20)16-15(7-11)25-9-18(22,17(16)21)8-10-3-4-12(19)14(5-10)24-2/h3-7,19-20,22H,8-9H2,1-2H3 > QZSMRSFRLVJTLG-UHFFFAOYSA-N > C18H18O7 > 346.335 > 346.10525292 > 7 > 43 > 34.74122378763251 > 1 > 3 > 0 > 1 > 3,5-dihydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one > 2.413024446333333 > 0 > 3 > 0 > 9.958086815838326 > 8.545859956844513 > -4.091429384321114 > 105.45000000000002 > 88.62299999999999 > 4 > 1 > 3,5-dihydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-2H-1-benzopyran-4-one > 0 > NP0251884 > 3,5-dihydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-2h-1-benzopyran-4-one $$$$