Mrv1652309122216202D 31 32 0 0 0 0 999 V2000 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 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 2.1434 -1.2375 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 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -8.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -7.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 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 3 5 1 0 0 0 0 5 6 2 0 0 0 0 7 6 1 4 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 9 14 1 0 0 0 0 6 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 20 19 1 4 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 24 23 1 4 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 18 30 2 0 0 0 0 5 30 1 0 0 0 0 30 31 1 0 0 0 0 M END > NP0329711 > NP-MRD > COC(=O)C1=C(C=CC2=CC=CC=C2)C=C(O)C(CC=C(C)CC=CC(C)(C)O)=C1O > InChI=1S/C26H30O5/c1-18(9-8-16-26(2,3)30)12-15-21-22(27)17-20(23(24(21)28)25(29)31-4)14-13-19-10-6-5-7-11-19/h5-8,10-14,16-17,27-28,30H,9,15H2,1-4H3 > VBMULIYRQCOLAA-UHFFFAOYSA-N > C26H30O5 > 422.521 > 422.209324066 > 4 > 61 > 46.464703782131025 > 1 > 3 > 0 > 0 > methyl 2,4-dihydroxy-3-(7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl)-6-(2-phenylethenyl)benzoate > 6.476165046 > 0 > 2 > 0 > 10.198436858375151 > 8.346799687047056 > -1.5478506098101596 > 86.99000000000001 > 127.494 > 9 > 0 > methyl 2,4-dihydroxy-3-(7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl)-6-(2-phenylethenyl)benzoate > 0 > NP0329711 > methyl 2,4-dihydroxy-3-(7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl)-6-(2-phenylethenyl)benzoate $$$$