Mrv1652306242120043D 29 30 0 0 0 0 999 V2000 0.7388 1.9933 1.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3923 0.8602 0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 0.8206 0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3714 -0.2374 -0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 -0.2878 -0.5614 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 -1.2786 -0.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2882 -2.3408 -1.6087 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2801 -1.2404 -0.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -0.1725 -0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7918 -0.1541 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6045 -0.3944 -1.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9801 -0.4000 -1.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7738 -0.6398 -2.1391 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 -0.1685 0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8362 0.0707 1.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4306 0.3132 2.5182 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4504 0.0739 1.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8114 1.9283 2.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2871 2.1878 0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2978 2.9520 0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3529 1.6369 0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3555 0.4343 -0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7697 -3.1052 -2.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6613 -2.0320 -1.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1427 -0.5813 -2.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0322 -1.5999 -2.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7054 -0.1666 0.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6515 1.2669 2.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8818 0.2610 2.0822 H 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 4 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 9 2 1 0 0 0 0 17 10 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 3 21 1 0 0 0 0 5 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 11 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 M END > NP0014511 > NP-MRD > [H]OC1=C([H])C(=C([H])C(O[H])=C1[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1C([H])([H])[H] > InChI=1S/C13H12O4/c1-7-2-12(16)13(17)6-11(7)8-3-9(14)5-10(15)4-8/h2-6,14-17H,1H3 > WSCNWLJTILDSLU-UHFFFAOYSA-N > C13H12O4 > 232.235 > 232.073558866 > 4 > 29 > 24.022268476552036 > 1 > 4 > 0 > 1 > 6-methyl-[1,1'-biphenyl]-3,3',4,5'-tetrol > 1.71 > 2.9196312806666667 > -2.99 > 0 > 2 > 0 > 9.541892726999542 > 8.90827145319729 > -5.681671953813237 > 80.92 > 64.15899999999999 > 1 > 1 > 2.39e-01 g/l > 6-methyl-[1,1'-biphenyl]-3,3',4,5'-tetrol > 0 > NP0014511 > 6′-methyl-[1,1′-biphenyl]-3,3′,4′,5-tetraol $$$$