HMDB0000042 RDKit 3D Acetic acid 8 7 0 0 0 0 0 0 0 0999 V2000 -0.8628 -0.1331 0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4641 0.4946 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6007 1.6760 -0.3431 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5981 -0.2845 0.1624 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -0.0792 -0.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3826 0.4429 0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7899 -1.1957 0.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8273 -0.9209 -0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 1 5 1 0 1 6 1 0 1 7 1 0 4 8 1 0 M END