Mrv1652306242117493D 26 26 0 0 0 0 999 V2000 2.3930 -0.2812 0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1474 0.3027 0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0183 1.6186 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0547 2.4945 0.1512 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2084 2.1155 -0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2982 3.4678 -0.7648 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2428 1.2382 -0.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4679 1.7017 -1.0793 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1197 -0.1438 -0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3775 -0.9033 -0.5139 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4456 -2.1983 -0.2349 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0748 -0.6155 0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2805 -2.0165 0.5113 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4561 -2.5422 -0.0811 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 0.4324 1.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2516 -1.0884 1.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9316 -0.6898 -0.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9526 2.2169 0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5081 4.0477 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5824 2.6665 -1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6444 -0.7682 -1.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2635 -0.3770 -0.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 -2.4860 0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3306 -2.1938 1.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5318 -2.6299 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7307 -3.3687 0.4112 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 3 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 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 9 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 4 18 1 0 0 0 0 6 19 1 0 0 0 0 8 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 M END > NP0003672 > NP-MRD > [H]OC1=C(O[H])C(=C(C(=C1O[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])O[H] > InChI=1S/C9H12O5/c1-4-5(2-10)6(3-11)8(13)9(14)7(4)12/h10-14H,2-3H2,1H3 > VELVFVFRNPXMHS-UHFFFAOYSA-N > C9H12O5 > 200.19 > 200.068473486 > 5 > 26 > 19.50959653199131 > 1 > 5 > 0 > 1 > 4,5-bis(hydroxymethyl)-6-methylbenzene-1,2,3-triol > -0.77 > 0.04127170566666673 > -1.49 > 0 > 1 > 0 > 11.985793823075856 > 8.945123276926319 > -2.874494883697964 > 101.15 > 50.673700000000004 > 2 > 1 > 6.44e+00 g/l > 4,5-bis(hydroxymethyl)-6-methylbenzene-1,2,3-triol > 0 > NP0003672 > 2,3,4-trihydroxy-6-(hydroxymethyl)-5-methylbenzylacohol $$$$