Mrv1652303192001543D 25 26 0 0 0 0 999 V2000 7.3684 -2.0515 -1.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9826 -1.7787 -1.3983 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4669 -0.6859 -0.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3228 0.1470 -0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8330 1.2535 0.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 2.0732 1.2744 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4675 1.4948 0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5733 0.6916 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 0.9226 -0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 0.2443 0.9931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 0.5569 0.8354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -0.2362 0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2608 0.0295 -0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0646 -0.9021 -0.9044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8062 -1.8103 -0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0998 -2.0215 -0.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9398 -1.3473 -1.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7703 -2.9589 0.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7974 1.1111 0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1298 1.4380 0.3975 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4448 2.3203 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0003 1.9361 1.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5663 3.0393 1.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 1.6504 1.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0937 -0.4142 -0.7433 C 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 5 7 2 0 0 0 0 7 8 1 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 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 3 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 13 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 8 25 2 0 0 0 0 25 3 1 0 0 0 0 24 11 1 0 0 0 0 M END > CDB000751 > CDB > COC1=CC(O)=CC(CCC2=CC(CC=C(C)C)=C(OC)C(O)=C2)=C1 > InChI=1S/C21H26O4/c1-14(2)5-8-17-9-15(12-20(23)21(17)25-4)6-7-16-10-18(22)13-19(11-16)24-3/h5,9-13,22-23H,6-8H2,1-4H3 > ZRAWGGRJVKXQIK-UHFFFAOYSA-N > C21H26O4 > 342.435 > 342.183109317 > 4 > 51 > 38.86730656822449 > 1 > 2 > 0 > 1 > 5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxy-3-(3-methylbut-2-en-1-yl)phenol > 4.54 > 5.315702332666667 > -4.99 > 0 > 2 > 0 > 10.114854368021563 > 9.429018167858535 > -4.5628721751332515 > 58.92 > 101.52720000000001 > 7 > 0 > 3.52e-03 g/l > 5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxy-3-(3-methylbut-2-en-1-yl)phenol > 0 > CDB000751 > 3,4'-Dihydroxy-5,3'-dimethoxy-5' isoprenyl bibenzyl $$$$