HMDB0125161 RDKit 3D 6-[3-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 39 40 0 0 0 0 0 0 0 0999 V2000 4.3092 -1.5820 0.6356 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4735 -1.4600 -0.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2011 -2.4294 -1.2734 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9129 -0.3110 -1.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1705 0.6112 -0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8245 1.6589 0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1541 2.5311 0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8098 2.3649 1.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1169 1.3175 0.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2016 1.1907 0.8701 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1259 0.2416 0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5913 -0.4624 1.4582 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7724 -1.0753 1.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5527 -2.5112 1.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5112 -3.3352 1.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2821 -3.0190 0.8644 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8578 -0.5336 0.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7179 0.3207 1.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4083 0.2166 -0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2742 -0.6082 -1.7605 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 0.9769 -0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4243 2.2548 0.0982 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8056 0.4699 -0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2135 -2.4487 -1.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2544 -0.7666 -2.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7498 0.2304 -1.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8809 1.8476 -0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6786 3.3660 1.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2749 3.0544 1.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5884 -0.4561 -0.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1779 -1.0921 2.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9827 -3.2303 -0.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5151 -1.3638 0.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5726 0.3571 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1997 0.9666 -0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4691 -0.4277 -2.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6825 1.1516 -1.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1197 2.3513 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3473 -0.3673 -0.7221 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 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 5 1 0 21 11 1 0 3 24 1 0 4 25 1 0 4 26 1 0 6 27 1 0 7 28 1 0 8 29 1 0 11 30 1 0 13 31 1 0 16 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 M END