HMDB0125148 RDKit 3D 6-[4-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 40 41 0 0 0 0 0 0 0 0999 V2000 7.1030 0.8944 -0.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8609 0.7981 -0.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9701 1.6189 -1.4583 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3391 -0.2264 0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8849 -0.4536 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4413 -1.4167 -0.9687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1036 -1.5750 -1.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -0.7891 -0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1813 -1.0324 -0.7602 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3455 -0.4825 -0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0241 0.0639 -1.4174 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0785 0.8645 -1.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6744 2.1750 -0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4518 2.4553 -0.5073 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5622 3.1385 -0.0969 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9165 0.1743 0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2589 0.4423 -0.1597 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6283 -1.3255 -0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5809 -1.9848 0.6627 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2207 -1.5382 0.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1596 -1.3825 1.7465 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6051 0.1646 0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7447 0.9852 1.1017 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9627 0.3228 0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4957 2.3528 -0.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4263 0.1908 1.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8693 -1.1980 0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1914 -2.0283 -1.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7432 -2.3243 -1.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 0.3111 0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7629 0.9420 -1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3154 3.8916 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5402 0.5120 1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7679 0.0601 0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6968 -1.6051 -1.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1613 -2.7144 1.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8664 -2.5693 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8548 -0.4703 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 1.6679 1.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2834 1.0905 1.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 12 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 8 22 1 0 22 23 1 0 22 24 2 0 24 5 1 0 20 10 1 0 3 25 1 0 4 26 1 0 4 27 1 0 6 28 1 0 7 29 1 0 10 30 1 0 12 31 1 0 15 32 1 0 16 33 1 0 17 34 1 0 18 35 1 0 19 36 1 0 20 37 1 0 21 38 1 0 23 39 1 0 24 40 1 0 M END