HMDB0037202 RDKit 3D 5-O-Galloyl-1,4-galactarolactone 36 37 0 0 0 0 0 0 0 0999 V2000 -0.6294 2.1019 0.5018 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9097 0.9887 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1499 0.3157 -0.6135 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4853 0.8347 -0.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 1.1263 -1.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 0.8717 -3.0097 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1956 1.7118 -2.1483 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2884 -0.0742 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3159 -1.4374 -0.2235 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -2.0657 0.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4624 -3.2978 0.6687 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1506 -1.0117 1.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7113 -0.7536 2.5099 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 0.1885 0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4309 -0.1244 -0.8758 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2637 0.5091 -0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2616 1.2432 0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5762 0.8108 0.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5929 1.5364 1.2169 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9036 -0.3957 0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2197 -0.8651 0.0609 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9081 -1.1604 -0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2266 -2.3775 -1.1567 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6103 -0.6911 -0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4217 1.8218 -0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5683 2.4746 -1.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9072 -0.1503 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2082 -1.2518 1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8716 0.1819 2.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0504 1.1410 0.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8565 -0.8418 -1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0382 2.1785 1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4639 2.4270 1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4318 -1.7471 -0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5072 -2.9104 -1.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8531 -1.3076 -1.0711 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 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 2 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 2 0 14 8 1 0 24 16 1 0 4 25 1 0 7 26 1 0 8 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 15 31 1 0 17 32 1 0 19 33 1 0 21 34 1 0 23 35 1 0 24 36 1 0 M END