Mrv1652309082207522D 29 30 0 0 0 0 999 V2000 3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -3.3000 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 3.5724 -4.5375 0.0000 C 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 3.5724 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -7.8375 0.0000 O 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 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 -2.1730 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 -2.8875 0.0000 O 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 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 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 0.7145 2.0625 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 2.1434 1.2375 0.0000 O 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 1.7309 -3.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9059 -3.6020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -4.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 -5.0309 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 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 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 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 18 25 1 0 0 0 0 12 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 M END > NP0262866 > NP-MRD > OCC(O)C(O)(C(=O)\C=C\C1=CC=C(O)C=C1)C(=O)\C=C\C1=CC=C(O)C(O)=C1 > InChI=1S/C21H20O8/c22-12-20(28)21(29,18(26)9-4-13-1-6-15(23)7-2-13)19(27)10-5-14-3-8-16(24)17(25)11-14/h1-11,20,22-25,28-29H,12H2/b9-4+,10-5+ > OZCUAZWYMJXBLV-LUZURFALSA-N > C21H20O8 > 400.383 > 400.115817604 > 8 > 49 > 39.947920962126105 > 1 > 6 > 0 > 1 > (1E,6E)-4-(1,2-dihydroxyethyl)-1-(3,4-dihydroxyphenyl)-4-hydroxy-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione > 2.176664277333333 > 0 > 2 > 0 > 9.294682165234276 > 8.708377947561456 > -2.9921739568105545 > 155.51999999999998 > 106.4228 > 8 > 0 > (1E,6E)-4-(1,2-dihydroxyethyl)-1-(3,4-dihydroxyphenyl)-4-hydroxy-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione > 0 > NP0262866 > (1e,6e)-4-(1,2-dihydroxyethyl)-1-(3,4-dihydroxyphenyl)-4-hydroxy-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione $$$$