Mrv1652309022220592D 24 24 0 0 1 0 999 V2000 1.4289 -3.3000 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 0.7145 -2.0625 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 -2.0625 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 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 -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 -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 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 2 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 3.5724 -2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.0625 0.0000 C 0 0 2 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 5.7158 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 5 12 1 0 0 0 0 2 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 M END > NP0160924 > NP-MRD > OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)C(=O)\C=C\C1=CC=C(O)C(O)=C1 > InChI=1S/C15H18O9/c16-6-11(20)13(22)15(24)14(23)12(21)9(18)4-2-7-1-3-8(17)10(19)5-7/h1-5,11,13-17,19-20,22-24H,6H2/b4-2+/t11-,13-,14+,15+/m1/s1 > HUXWBFFRUHXOBU-CPRQJHDUSA-N > C15H18O9 > 342.3 > 342.09508216 > 9 > 42 > 32.44559067799811 > 1 > 7 > 0 > 0 > (1E,5R,6S,7R,8R)-1-(3,4-dihydroxyphenyl)-5,6,7,8,9-pentahydroxynon-1-ene-3,4-dione > -0.46 > -1.0385977893333336 > -1.83 > 0 > 1 > 0 > 8.932572179737848 > 8.163574111769448 > -2.9742201212341994 > 175.74999999999997 > 81.5461 > 8 > 0 > 5.01e+00 g/l > (1E,5R,6S,7R,8R)-1-(3,4-dihydroxyphenyl)-5,6,7,8,9-pentahydroxynon-1-ene-3,4-dione > 0 > NP0160924 > (1e,5r,6s,7r,8r)-1-(3,4-dihydroxyphenyl)-5,6,7,8,9-pentahydroxynon-1-ene-3,4-dione $$$$