HMDB0031602 RDKit 3D 4-Pentenoic acid 15 14 0 0 0 0 0 0 0 0999 V2000 2.6154 -0.0218 0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5007 0.6655 0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3508 -0.0100 -0.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7881 0.0260 0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9469 -0.6479 -0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0627 -1.9009 -0.1551 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9099 0.1602 -0.7289 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5069 0.3996 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6568 -1.0403 -0.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4818 1.6922 0.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6227 -1.0569 -0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0497 0.4557 -1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0713 1.0616 0.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4368 -0.5113 1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 0.7283 -0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 1 8 1 0 1 9 1 0 2 10 1 0 3 11 1 0 3 12 1 0 4 13 1 0 4 14 1 0 7 15 1 0 M END