61020 -OEChem-04150811102D 14 13 0 0 0 0 0 0 0999 V2000 5.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 M END > 1 > 61020 > 1 > 68 > 1 > 0 > 1 > AAADccBgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADACggAICAAAAAACIAihSgAAAAAAAAAAACAAAAEAAAAAAAQAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-methylbut-2-enal > 3-methylbut-2-enal > 3-methylbut-2-enal > 3-methylbut-2-enal > 3-methylbut-2-enal > InChI=1/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3 > 0.9 > 84.057515 > C5H8O > 84.11642 > CC(=CC=O)C > CC(=CC=O)C > 17.1 > 84.057515 > 0 > 6 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 43118327 > 1 > ChemSpider > 54980 > 54980 > http://www.chemspider.com > http://www.chemspider.com/Chemical-Structure.54980.html > 61020 1 $$$$