Mrv1652309122216212D 23 24 0 0 1 0 999 V2000 2.1434 -1.2375 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 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 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 3.5724 -1.2375 0.0000 C 0 0 1 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 3.5724 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.4125 0.0000 C 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 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 3 10 1 0 0 0 0 10 11 1 0 0 0 0 2 12 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 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 1 0 0 0 0 21 23 2 0 0 0 0 16 23 1 0 0 0 0 M END > NP0329720 > NP-MRD > O[C@@H]([C@H](O)C1=CC=C(O)C(O)=C1)C(=O)C1=C(O)C=C(O)C=C1O > InChI=1S/C15H14O8/c16-7-4-10(19)12(11(20)5-7)14(22)15(23)13(21)6-1-2-8(17)9(18)3-6/h1-5,13,15-21,23H/t13-,15+/m1/s1 > YJADOKMJRGAZNX-HIFRSBDPSA-N > C15H14O8 > 322.269 > 322.068867411 > 8 > 37 > 28.621556015548585 > 1 > 7 > 0 > 1 > (2S,3R)-3-(3,4-dihydroxyphenyl)-2,3-dihydroxy-1-(2,4,6-trihydroxyphenyl)propan-1-one > 1.8019131433333333 > 0 > 2 > 0 > 9.06415875706641 > 7.837663550307133 > -3.5587870038190257 > 158.68 > 78.3879 > 4 > 0 > (2S,3R)-3-(3,4-dihydroxyphenyl)-2,3-dihydroxy-1-(2,4,6-trihydroxyphenyl)propan-1-one > 0 > NP0329720 > (2s,3r)-3-(3,4-dihydroxyphenyl)-2,3-dihydroxy-1-(2,4,6-trihydroxyphenyl)propan-1-one $$$$