10797 -OEChem-03282416442D 12 12 0 0 0 0 0 0 0999 V2000 2.8090 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6734 1.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3775 -1.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1588 -0.6822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7607 0.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9446 1.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -0.3732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 M END > 10797 > 1 > 43.2 > 1 > 0 > 0 > AAADcYBgIAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAABgAAAGgAAAAAACASgkAIyBIAABECIAKhSgAACCAAkIAAIiAEGCMgMJjKENRqCGSCkwBEIqYaIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-methylfuran > 2-methylfuran > 2-methylfuran > 2-methylfuran > 2-methylfuran > 2-methylfuran > InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3 > VQKFNUFAXTZWDK-UHFFFAOYSA-N > 1.8 > 82.041864811 > C5H6O > 82.10 > CC1=CC=CO1 > CC1=CC=CO1 > 13.1 > 82.041864811 > 0 > 6 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 2 8 1 6 8 2 3 8 3 5 8 5 6 8 $$$$