HMDB0124994 RDKit 3D 6-(3-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 36 37 0 0 0 0 0 0 0 0999 V2000 3.7430 0.3941 2.4795 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3735 0.3736 1.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7487 0.4423 1.4219 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 0.2791 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3678 0.2571 -1.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 0.1660 -2.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 0.0966 -2.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5645 0.1185 -1.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2151 0.0462 -1.1656 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6824 0.0528 -0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5245 1.1201 -0.1903 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6511 1.1374 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7017 1.8803 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8309 1.9914 0.3061 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4892 2.4408 -1.4645 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2306 -0.1584 0.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1517 -0.6153 0.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2279 -1.2519 1.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8606 -2.4465 1.4259 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3946 -1.2827 -0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4908 -2.3104 0.0222 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2633 0.2087 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2676 1.0870 0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4551 0.3101 -1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 0.1467 -3.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7851 0.0261 -3.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1397 0.1249 0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4774 1.7537 1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0268 3.3379 -1.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8057 -0.0638 1.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0543 -1.5656 -0.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5339 -0.9451 1.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4645 -3.1288 0.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0744 -1.3815 -0.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5777 -2.8720 -0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7896 0.2307 1.0727 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 2 0 7 8 1 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 2 0 22 4 1 0 20 10 1 0 3 23 1 0 5 24 1 0 6 25 1 0 7 26 1 0 10 27 1 0 12 28 1 0 15 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 M END