Mrv0541 02011303192D 29 30 0 0 0 0 999 V2000 -4.5571 -3.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2716 -4.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2716 -5.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5571 -5.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8427 -5.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8427 -4.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1282 -3.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4137 -4.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6993 -3.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9848 -4.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2703 -3.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4441 -4.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1586 -3.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6993 -3.1036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2703 -3.1036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8731 -4.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5876 -3.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8731 -5.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5876 -5.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 -5.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 -4.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0165 -3.9286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7310 -4.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0165 -5.5786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5571 -6.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8427 -6.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9861 -5.5786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9861 -3.9286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7006 -4.3411 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 5 6 2 0 0 0 0 1 6 1 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 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 9 14 2 0 0 0 0 11 15 2 0 0 0 0 13 16 1 0 0 0 0 17 16 2 0 0 0 0 16 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 17 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 20 24 1 0 0 0 0 4 25 1 0 0 0 0 25 26 1 0 0 0 0 3 27 1 0 0 0 0 2 28 1 0 0 0 0 28 29 1 0 0 0 0 M END > NP0230774 > NP-MRD > COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC(OC)=C1O > InChI=1S/C22H22O7/c1-27-19-10-14(6-9-18(19)25)4-7-16(23)13-17(24)8-5-15-11-20(28-2)22(26)21(12-15)29-3/h4-12,25-26H,13H2,1-3H3/b7-4+,8-5+ > MQJGAHXKAZGEGI-NSLJXJERSA-N > C22H22O7 > 398.4059 > 398.136553058 > 7 > 41.08876414690026 > 1 > 2 > 0 > 1 > (1E,6E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione > 3.57 > 3.9668532853333325 > -4.84 > 0 > 2 > 0 > 9.39957512204668 > 8.75759854765821 > -4.262478852786641 > 102.29000000000002 > 110.27380000000002 > 9 > 1 > 5.79e-03 g/l > (1E,6E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione > 0 > NP0230774 > (1e,6e)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione $$$$