HMDB0126444 RDKit 3D 6-(4-carboxy-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 37 38 0 0 0 0 0 0 0 0999 V2000 6.5286 0.7504 -0.6641 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6387 0.0429 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1306 -1.0887 0.5331 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2164 0.2751 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3687 -0.6445 0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0106 -0.4758 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4254 0.5844 -0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 0.7295 -0.2714 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9314 -0.0486 0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6549 0.7768 1.1411 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9453 0.3969 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0701 -0.8964 2.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 -1.4048 2.3767 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9545 -1.6564 2.4758 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8162 0.4831 0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3902 1.7479 0.0072 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0093 0.2396 -1.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6237 1.4349 -1.7223 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7781 -0.5893 -0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1853 -1.9005 -0.6061 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2564 1.5015 -0.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6537 1.3450 -0.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4160 2.2975 -1.5275 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7545 -2.0036 0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8346 -1.4943 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4041 -1.2148 0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5003 -0.9140 0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 1.1699 2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9591 -2.6583 2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6426 -0.2432 0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2435 1.7533 -0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6598 -0.3348 -1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4068 1.8571 -2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1947 -0.6155 -1.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 -2.4859 -0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 2.3401 -1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3853 2.3002 -1.5862 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 2 0 12 14 1 0 11 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 7 21 1 0 21 22 2 0 22 23 1 0 22 4 1 0 19 9 1 0 3 24 1 0 5 25 1 0 6 26 1 0 9 27 1 0 11 28 1 0 14 29 1 0 15 30 1 0 16 31 1 0 17 32 1 0 18 33 1 0 19 34 1 0 20 35 1 0 21 36 1 0 23 37 1 0 M END