HMDB0010720 RDKit 3D But-2-enoic acid 12 11 0 0 0 0 0 0 0 0999 V2000 -2.0835 -0.0130 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 0.2537 0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3769 -0.2510 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7072 0.0011 0.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8733 0.7216 1.3898 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8216 -0.5640 -0.2292 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 0.0614 0.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3608 0.7888 -0.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1383 -0.9639 -0.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 0.8807 1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -0.8699 -1.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6947 -0.0456 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 1 7 1 0 1 8 1 0 1 9 1 0 2 10 1 0 3 11 1 0 6 12 1 0 M END