Ketcher 10081811272D 1 1.00000 0.00000 0 48 48 0 0 0 999 V2000 -4.4022 12.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4022 11.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5362 11.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2683 11.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2683 10.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4022 9.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5362 10.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1762 11.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3102 11.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3102 12.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4443 11.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5783 11.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7123 11.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8462 11.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8462 12.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9802 11.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1142 11.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2482 11.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3822 11.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3822 12.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5162 11.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6502 11.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7841 11.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9182 11.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9182 12.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0521 11.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1861 11.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3201 11.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4541 11.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4541 12.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5881 11.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7220 11.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8560 11.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9899 11.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9899 12.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1240 11.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2580 11.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3919 11.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5259 11.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5259 12.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6598 11.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7939 11.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0721 11.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9382 11.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9382 12.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8042 11.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6702 11.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1342 11.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 2 0 0 0 47 3 1 0 0 0 2 4 1 0 0 0 4 48 1 0 0 0 5 4 2 0 0 0 6 5 1 0 0 0 7 6 2 0 0 0 7 3 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 9 11 2 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 14 16 2 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 19 21 2 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 24 26 2 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 29 31 2 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 34 36 2 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 39 41 2 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 44 46 2 0 0 0 46 47 1 0 0 0 M END > CHEBI:1233 > 3-(all-trans-octaprenyl)benzene-1,2-diol > A 3-(all-trans-polyprenyl)benzene-1,2-diol in which the substituent at position 3 is an all-trans-octaprenyl moiety. > 3 > CHEBI:62730 > 3-Octaprenylcatechol; 3-(all-trans-octaprenyl)benzene-1,2-diol; 2-Octaprenyl-6-hydroxyphenol > 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-1,2-diol > C46H70O2; C46H70O2 > 655.049 > 654.53758 > 0 > OC1=C(C\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)/C)/C)/C)/C)/C)C=CC=C1O > InChI=1S/C46H70O2/c1-36(2)18-10-19-37(3)20-11-21-38(4)22-12-23-39(5)24-13-25-40(6)26-14-27-41(7)28-15-29-42(8)30-16-31-43(9)34-35-44-32-17-33-45(47)46(44)48/h17-18,20,22,24,26,28,30,32-34,47-48H,10-16,19,21,23,25,27,29,31,35H2,1-9H3/b37-20+,38-22+,39-24+,40-26+,41-28+,42-30+,43-34+ > YNPGYMZVNLIZLD-BQFKTQOQSA-N > C05811 > 2-OCTAPRENYL-6-HYDROXYPHENOL > 10419476; 8703953 $$$$