Mrv1652309032221352D 41 43 0 0 0 0 999 V2000 3.5724 -6.1875 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 -6.1875 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 5.7158 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -9.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -5.3625 0.0000 C 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 8.5737 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -7.4250 0.0000 C 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 7.1447 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 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 9 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 2 0 0 0 0 5 14 1 0 0 0 0 4 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 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 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 32 35 2 0 0 0 0 27 35 1 0 0 0 0 17 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 37 40 2 0 0 0 0 15 40 1 0 0 0 0 40 41 1 0 0 0 0 M END > NP0181124 > NP-MRD > COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C(=C2)C(\C=C\C)C2=CC=C(OC)C(OC)=C2)=CC=C1O > InChI=1S/C33H34O8/c1-6-7-26(23-11-15-29(38-2)31(19-23)40-4)27-16-22(18-32(41-5)33(27)37)9-13-25(35)20-24(34)12-8-21-10-14-28(36)30(17-21)39-3/h6-19,26,36-37H,20H2,1-5H3/b7-6+,12-8+,13-9+ > VTDIEUQNUUTRAF-BRLOHPTNSA-N > C33H34O8 > 558.627 > 558.225368055 > 8 > 75 > 59.8168072758509 > 0 > 2 > 0 > 0 > (1E,6E)-1-{3-[(2E)-1-(3,4-dimethoxyphenyl)but-2-en-1-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione > 6.715210816333332 > 1 > 3 > 0 > 9.494865751030643 > 8.951513330537018 > -4.219526803688985 > 111.52000000000001 > 161.34139999999994 > 13 > 0 > (1E,6E)-1-{3-[(2E)-1-(3,4-dimethoxyphenyl)but-2-en-1-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione > 0 > NP0181124 > (1e,6e)-1-{3-[(2e)-1-(3,4-dimethoxyphenyl)but-2-en-1-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione $$$$