HMDB0126655 RDKit 3D 6-(3-carboxy-5-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 37 38 0 0 0 0 0 0 0 0999 V2000 4.6021 2.8770 0.4596 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9477 1.7145 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2774 1.3589 -0.0625 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9332 0.6934 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2906 -0.5811 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2971 -1.5097 -0.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6961 -2.7941 -1.0852 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9529 -1.1917 -0.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5891 0.0683 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2926 0.4869 0.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -0.2645 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 0.3190 -1.1131 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 0.9090 -0.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4448 1.5839 -1.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 1.5677 -2.9638 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6425 2.2601 -1.6207 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6853 -0.2111 -0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7021 -1.2195 -1.0805 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0094 -0.6957 1.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1754 -2.0937 1.1606 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5688 -0.3108 1.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3528 0.8505 1.9744 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5802 1.0051 0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6921 0.7670 0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3376 -0.8155 -0.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8848 -3.4878 -0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2139 -1.9345 -0.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7037 -1.3165 -0.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6241 1.6084 0.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7834 2.9408 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7036 0.1831 0.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9169 -2.1040 -0.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5523 -0.2998 2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -2.4816 1.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0518 -1.1290 1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4668 1.2192 1.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3238 2.0276 0.3496 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 2 0 5 6 1 0 6 7 1 0 6 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 1 0 14 15 2 0 14 16 1 0 13 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 9 23 2 0 23 4 1 0 21 11 1 0 3 24 1 0 5 25 1 0 7 26 1 0 8 27 1 0 11 28 1 0 13 29 1 0 16 30 1 0 17 31 1 0 18 32 1 0 19 33 1 0 20 34 1 0 21 35 1 0 22 36 1 0 23 37 1 0 M END