HMDB0134103 RDKit 3D 6-(2-carboxy-6-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 37 38 0 0 0 0 0 0 0 0999 V2000 2.1271 1.2526 -1.8634 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9357 0.3629 -1.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9142 -0.0289 -2.4573 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8515 -0.2373 -0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8572 -1.1435 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9329 -1.7362 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9668 -1.4093 2.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9369 -0.5090 1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9848 -0.1974 2.9185 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9049 0.0669 0.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8656 0.9592 0.3855 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3594 0.5259 -0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4089 0.5756 0.8269 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2841 -0.4717 0.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3173 -0.5431 1.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2249 -1.4113 1.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3229 0.3436 2.6456 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8772 -0.1867 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5675 -1.2306 -1.6943 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 1.1497 -1.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8997 1.3159 -2.6425 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8953 1.2611 -1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5871 2.6233 -1.3266 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5522 0.7057 -2.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5996 -1.3840 -0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7047 -2.4347 1.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9652 -1.8447 3.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2285 0.4302 2.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2168 -0.5570 -0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6558 -1.4087 0.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4285 0.7492 2.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9754 -0.1450 -0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8248 -2.0671 -1.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8385 1.9242 -0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4459 0.6905 -3.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 0.8500 -2.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2532 3.1601 -0.8267 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 8 10 2 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 4 1 0 22 12 1 0 3 24 1 0 5 25 1 0 6 26 1 0 7 27 1 0 9 28 1 0 12 29 1 0 14 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