Mrv1533004251502372D 30 32 0 0 0 0 999 V2000 -2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 O 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 -1.4289 -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 0.0000 -1.6500 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 -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 -4.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -3.4105 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 1.4289 0.0000 0.0000 C 0 0 0 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 2.1434 -0.4125 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 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 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 4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 -0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 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 1.4289 -1.6500 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 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 3 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 2 0 0 0 0 10 13 1 0 0 0 0 6 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 22 28 1 0 0 0 0 28 29 2 0 0 0 0 18 29 1 0 0 0 0 29 30 1 0 0 0 0 14 30 1 0 0 0 0 M END > NP0052681 > NP-MRD > COC1=CC=C(C=C1OS(O)(=O)=O)C1=CC(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1 > InChI=1S/C16H12O12S2/c1-25-12-3-2-8(4-14(12)28-30(22,23)24)13-7-11(18)16-10(17)5-9(6-15(16)26-13)27-29(19,20)21/h2-7,17H,1H3,(H,19,20,21)(H,22,23,24) > CORCXFALGZLUGA-UHFFFAOYSA-N > C16H12O12S2 > 460.38 > 459.977018174 > 10 > 42 > 40.185507128944636 > 1 > 3 > 0 > 1 > {5-[5-hydroxy-4-oxo-7-(sulfooxy)-4H-chromen-2-yl]-2-methoxyphenyl}oxidanesulfonic acid > -0.64 > 1.5983911753333329 > -3.65 > 1 > 3 > -3 > -2.267308598148489 > -2.895146391664464 > -4.800015818680481 > 182.95999999999998 > 99.3607 > 6 > 1 > 1.04e-01 g/l > {5-[5-hydroxy-4-oxo-7-(sulfooxy)chromen-2-yl]-2-methoxyphenyl}oxidanesulfonic acid > 0 > NP0052681 > Luteolin 4'-methyl ether 7,3'-disulfate $$$$