Mrv1652309092202532D 31 32 0 0 0 0 999 V2000 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5572 -7.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7322 -5.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -5.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9072 -5.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4947 -5.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 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 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 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 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 10 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 5 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 3 30 1 0 0 0 0 30 31 1 0 0 0 0 M END > NP0276658 > NP-MRD > COC1=CC(\C=C\C(=O)C(O)(C(O)CO)C(=O)\C=C\C2=CC=C(O)C(O)=C2)=CC=C1O > InChI=1S/C22H22O9/c1-31-18-11-14(3-7-16(18)25)5-9-20(28)22(30,21(29)12-23)19(27)8-4-13-2-6-15(24)17(26)10-13/h2-11,21,23-26,29-30H,12H2,1H3/b8-4+,9-5+ > IBLAUOUKBQBTPV-KBXRYBNXSA-N > C22H22O9 > 430.409 > 430.126382288 > 9 > 53 > 42.91608302056905 > 1 > 6 > 0 > 1 > (1E,6E)-4-(1,2-dihydroxyethyl)-1-(3,4-dihydroxyphenyl)-4-hydroxy-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione > 2.018993011666667 > 0 > 2 > 0 > 9.569793508822558 > 8.86991243097524 > -2.9921739568105847 > 164.75 > 112.88599999999998 > 9 > 0 > (1E,6E)-4-(1,2-dihydroxyethyl)-1-(3,4-dihydroxyphenyl)-4-hydroxy-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione > 0 > NP0276658 > (1e,6e)-4-(1,2-dihydroxyethyl)-1-(3,4-dihydroxyphenyl)-4-hydroxy-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione $$$$