HMDB0000325 RDKit 3D 3-Hydroxysuberic acid 27 26 0 0 0 0 0 0 0 0999 V2000 -5.0530 -0.8530 -0.1593 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 -0.0913 0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4048 1.0700 0.8168 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6722 -0.4414 -0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7865 0.6590 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3244 0.4346 -0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2155 -0.8123 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 -0.9638 0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -1.0323 -1.2005 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4628 0.1397 0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 0.0149 0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3449 -0.9262 -0.2647 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7515 1.0101 0.9703 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1869 2.0005 0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6406 -0.4071 -1.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3877 -1.4401 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 0.7146 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0862 1.5998 -0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0765 0.4856 -1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1952 1.3095 0.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1423 -0.8052 1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3712 -1.7194 0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0906 -1.9294 0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9871 -1.2248 -1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1855 1.1340 0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4101 0.1034 1.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7149 1.9707 0.6055 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 3 14 1 0 4 15 1 0 4 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 9 24 1 0 10 25 1 0 10 26 1 0 13 27 1 0 M END