HMDB0125149 RDKit 3D 6-[5-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 40 41 0 0 0 0 0 0 0 0999 V2000 4.9908 1.4262 0.3286 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5353 0.3259 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8360 0.2988 -0.4046 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7927 -0.9178 0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4187 -0.6749 0.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1363 -0.6168 2.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8489 -0.3895 2.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7797 -0.2088 1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4901 0.0161 2.1819 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0566 -0.2660 0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1281 -0.1103 -0.6226 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2119 0.1210 -0.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -0.9664 -1.3364 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1831 -0.9928 -1.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4386 -1.6304 0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6233 -1.7176 0.6991 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4374 -2.1368 1.0996 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8182 0.3847 -1.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8939 1.0347 0.0826 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9902 1.1842 -2.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9319 0.5597 -3.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6094 1.3393 -1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6931 2.4395 -0.6092 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3788 -0.4993 -0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4881 1.0230 -0.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3084 -1.5277 1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7199 -1.5305 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9697 -0.7576 2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6412 -0.3462 3.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6356 0.0479 3.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 0.2030 0.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6788 -1.5944 -1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3715 -2.0052 2.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 0.3056 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6670 1.6475 0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4538 2.1921 -2.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4351 1.1847 -3.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8916 1.5904 -2.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7292 2.1063 0.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5814 -0.5417 -1.1552 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 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 14 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 10 24 2 0 24 5 1 0 22 12 1 0 3 25 1 0 4 26 1 0 4 27 1 0 6 28 1 0 7 29 1 0 9 30 1 0 12 31 1 0 14 32 1 0 17 33 1 0 18 34 1 0 19 35 1 0 20 36 1 0 21 37 1 0 22 38 1 0 23 39 1 0 24 40 1 0 M END