HMDB0036932 RDKit 3D 2-O-Galloylgalactaric acid 39 39 0 0 0 0 0 0 0 0999 V2000 0.8690 1.2557 -1.4341 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2381 0.3971 -0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3209 -0.5470 -0.2018 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0156 -0.5749 -0.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2149 -1.8290 -1.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -2.1603 -2.1035 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1855 -2.7740 -1.4716 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9116 -0.3624 0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 -1.4231 1.3331 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3613 -0.2280 0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9522 -1.3394 -0.3804 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7039 1.0211 -0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3034 0.9634 -1.9456 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1619 1.2374 -0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8971 1.3480 -1.5047 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7228 1.3189 0.7662 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 0.4668 -0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0333 -0.4462 0.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3132 -0.4160 1.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6938 -1.3623 2.3452 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1991 0.5568 0.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5029 0.6090 1.5188 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7769 1.4793 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6472 2.4729 -0.3677 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4815 1.4381 -0.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1283 0.2649 -1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2912 -3.7284 -1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5557 0.5687 0.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -2.2352 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8586 -0.0724 1.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7628 -1.6531 0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1358 1.8603 -0.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0251 1.8487 -2.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4137 0.6894 1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3201 -1.2018 1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0605 -2.0740 2.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7814 -0.0723 2.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5752 2.5340 -0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2009 2.1695 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 4 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 2 0 14 16 1 0 2 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 2 0 25 17 1 0 4 26 1 0 7 27 1 0 8 28 1 0 9 29 1 0 10 30 1 0 11 31 1 0 12 32 1 0 13 33 1 0 16 34 1 0 18 35 1 0 20 36 1 0 22 37 1 0 24 38 1 0 25 39 1 0 M END