HMDB0126637 RDKit 3D 6-(5-carboxy-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 38 39 0 0 0 0 0 0 0 0999 V2000 3.7480 -0.5055 -3.6098 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3922 -0.2575 -2.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7723 -0.1782 -2.6828 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7064 -0.0622 -1.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4217 0.2116 -0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 0.3994 1.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5309 0.6767 2.2308 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4257 0.3263 1.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8624 0.5254 2.4629 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6785 0.0502 0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3835 -0.0405 0.0879 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8665 -0.0608 0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6325 0.9515 -0.1699 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7712 1.1916 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6169 2.1669 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7317 2.5635 0.2936 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2054 2.6669 -1.3707 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6033 -0.0562 0.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9337 0.1350 0.3549 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0486 -1.1721 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3405 -0.9163 -1.4233 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5829 -1.3787 0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3655 -2.2364 1.1552 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3531 -0.1378 -1.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3194 -0.8579 -2.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4856 0.2755 -0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5234 0.7534 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9051 0.5041 2.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0396 0.1379 1.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5303 1.5748 1.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9977 2.0883 -2.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6481 -0.3688 1.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4971 0.4664 1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5823 -2.1052 0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6126 -1.2398 -1.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1456 -1.7299 -0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3251 -1.7520 2.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7699 -0.3511 -2.0540 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 8 10 1 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 24 2 0 24 4 1 0 22 12 1 0 3 25 1 0 5 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 24 38 1 0 M END