Marvin 01051117172D 51 51 0 0 0 0 999 V2000 3.4877 -1.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4877 -2.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7732 -1.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7732 -2.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0587 -1.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0587 -2.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2022 -1.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9156 -1.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6311 -1.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3446 -1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0600 -1.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7735 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4889 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2025 -1.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9179 -1.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6314 -1.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3469 -1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0604 -1.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7758 -1.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4893 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2047 -1.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9182 -1.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6336 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3472 -1.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0626 -1.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7761 -1.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4915 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2051 -1.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9205 -1.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6340 -1.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3494 -1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0629 -1.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7783 -1.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4918 -1.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2073 -1.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9208 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6362 -1.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3498 -1.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7731 -0.2286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6330 -0.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4909 -0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2066 -0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3487 -0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0645 -0.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9224 -0.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7802 -0.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6381 -0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7731 -3.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3443 -1.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2022 -2.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3443 -0.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 8 2 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 2 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 16 2 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 2 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 2 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 28 2 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 2 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 2 0 0 0 0 38 37 1 0 0 0 0 39 3 1 0 0 0 0 40 9 1 0 0 0 0 41 13 1 0 0 0 0 42 21 1 0 0 0 0 43 17 1 0 0 0 0 44 25 1 0 0 0 0 45 29 1 0 0 0 0 46 33 1 0 0 0 0 47 37 1 0 0 0 0 48 4 1 0 0 0 0 49 5 1 0 0 0 0 50 2 1 0 0 0 0 49 51 1 0 0 0 0 M END > CHEBI:60656 > 5-methoxy-2-methyl-3-octaprenylhydroquinone > A polyprenylhydroquinone in which the polyprenyl substituent is octaprenyl at C-3; methoxy and methyl groups are also present at C-5 and C-2 respectively. > 3 > 6-methoxy-3-methyl-2-octaprenylquinol; 6-methoxy-3-methyl-2-octaprenylhydroquinone; 6-methoxy-3-methyl-2-all-trans-octaprenyl-1,4-benzoquinol; 5-methoxy-2-methyl-3-octaprenylquinol; 3-octaprenyl-2-methyl-5-methoxy-1,4-benzoquinol; 2-octaprenyl-3-methyl-6-methoxy-1,4-benzoquinol > 5-methoxy-2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzene-1,4-diol > C48H74O3 > 699.09940 > 698.56380 > 0 > COc1cc(O)c(C)c(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O > InChI=1S/C48H74O3/c1-36(2)19-12-20-37(3)21-13-22-38(4)23-14-24-39(5)25-15-26-40(6)27-16-28-41(7)29-17-30-42(8)31-18-32-43(9)33-34-45-44(10)46(49)35-47(51-11)48(45)50/h19,21,23,25,27,29,31,33,35,49-50H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b37-21+,38-23+,39-25+,40-27+,41-29+,42-31+,43-33+ > HDSGDGSLNMIMKU-KFSSTAEESA-N > OCTAPRENYL-METHYL-METHOXY-BENZQ $$$$