Mrv1652309122213572D 25 27 0 0 0 0 999 V2000 -0.9429 -5.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -4.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -4.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3739 -3.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1809 -3.5477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4358 -2.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 -2.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4752 -1.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1781 -3.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9851 -3.2777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 4 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 14 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 21 2 0 0 0 0 12 21 1 0 0 0 0 8 21 1 0 0 0 0 7 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 4 24 2 0 0 0 0 24 25 1 0 0 0 0 M END > NP0328461 > NP-MRD > COC1=CC(OC)=C2C(OC(=O)C2=C1)C1=COC(C=CC)=C(O)C1=O > InChI=1S/C18H16O7/c1-4-5-12-16(20)15(19)11(8-24-12)17-14-10(18(21)25-17)6-9(22-2)7-13(14)23-3/h4-8,17,20H,1-3H3 > PSQJPXDHIQCSGF-UHFFFAOYSA-N > C18H16O7 > 344.319 > 344.089602855 > 6 > 41 > 34.0904450887789 > 1 > 1 > 0 > 1 > 3-[5-hydroxy-4-oxo-6-(prop-1-en-1-yl)-4H-pyran-3-yl]-4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-one > 2.2132358039999995 > 0 > 3 > 0 > 11.65176470625158 > 8.942705667143702 > -3.8155873294818674 > 91.29 > 90.9146 > 4 > 1 > 3-[5-hydroxy-4-oxo-6-(prop-1-en-1-yl)pyran-3-yl]-4,6-dimethoxy-3H-2-benzofuran-1-one > 0 > NP0328461 > 3-[5-hydroxy-4-oxo-6-(prop-1-en-1-yl)pyran-3-yl]-4,6-dimethoxy-3h-2-benzofuran-1-one $$$$