Mrv1652309122209352D 32 33 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 12.1460 -6.1875 0.0000 O 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 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 16 24 1 0 0 0 0 10 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 5 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 3 31 1 0 0 0 0 31 32 1 0 0 0 0 M END > NP0326219 > NP-MRD > COC1=CC(\C=C\C(=O)C(O)(C(O)CO)C(=O)\C=C\C2=CC(O)=C(O)C(O)=C2)=CC=C1O > InChI=1S/C22H22O10/c1-32-17-10-12(2-5-14(17)24)3-6-18(27)22(31,20(29)11-23)19(28)7-4-13-8-15(25)21(30)16(26)9-13/h2-10,20,23-26,29-31H,11H2,1H3/b6-3+,7-4+ > XBNOXYSUWSABRV-XOKGJFMYSA-N > C22H22O10 > 446.408 > 446.121296908 > 10 > 54 > 43.982217969540514 > 1 > 7 > 0 > 1 > (1E,6E)-4-(1,2-dihydroxyethyl)-4-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(3,4,5-trihydroxyphenyl)hepta-1,6-diene-3,5-dione > 1.7154276899999994 > 0 > 2 > 0 > 9.495367749630311 > 8.510682267393875 > -2.992173956810614 > 184.98 > 114.86689999999997 > 9 > 0 > (1E,6E)-4-(1,2-dihydroxyethyl)-4-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(3,4,5-trihydroxyphenyl)hepta-1,6-diene-3,5-dione > 0 > NP0326219 > (1e,6e)-4-(1,2-dihydroxyethyl)-4-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(3,4,5-trihydroxyphenyl)hepta-1,6-diene-3,5-dione $$$$