Mrv1652309042215422D 23 23 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 -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 2 0 0 0 0 5 11 1 0 0 0 0 2 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 M END > NP0195781 > 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=C1 > InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1 > MBXDFASBTUWDHK-MFFVXOFNSA-N > C15H18O8 > 326.301 > 326.10016754 > 8 > 41 > 31.540474290832126 > 1 > 6 > 0 > 0 > (1E,5R,6S,7R,8R)-5,6,7,8,9-pentahydroxy-1-(4-hydroxyphenyl)non-1-ene-3,4-dione > -0.7350324676666666 > 0 > 1 > 0 > 9.098262157510613 > 8.200447635572553 > -2.9742201212341994 > 155.51999999999998 > 79.5652 > 8 > 0 > (1E,5R,6S,7R,8R)-5,6,7,8,9-pentahydroxy-1-(4-hydroxyphenyl)non-1-ene-3,4-dione > 0 > NP0195781 > (1e,5r,6s,7r,8r)-5,6,7,8,9-pentahydroxy-1-(4-hydroxyphenyl)non-1-ene-3,4-dione $$$$