10401 -OEChem-05050814432D 18 18 0 0 0 0 0 0 0999 V2000 3.6828 -1.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1828 1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1828 1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8063 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5593 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5838 -0.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 -0.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7414 1.4591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0448 1.7946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3208 1.7946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6242 1.4591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3649 0.1393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1929 0.8930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1728 0.8930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0007 0.1393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7217 -1.1711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2038 -0.5666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 M END > 1 > 10401 > 1 > 88.5 > 2 > 0 > 0 > AAADccBgMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABIAAAAAAAAAAGgAAAAAACACggAIACAAABAAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAACAAAEAAAAAAGISAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > oxepan-2-one > 2-oxepanone > oxepan-2-one > oxepan-2-one > oxepan-2-one > InChI=1/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2 > 0.9 > 114.06808 > C6H10O2 > 114.1424 > C1CCC(=O)OCC1 > C1CCC(=O)OCC1 > 26.3 > 114.06808 > 0 > 8 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 4993 > 3 > KEGG > C01880 > CAS: 502-44-3 ChEBI: 17915 3DMET: B00366 Is a reactant or product of enzyme EC 1.14.13.22 Is a reactant or product of enzyme EC 3.1.1.17 > 1-Oxa-2-oxocycloheptane 2-Oxepanone 502-44-3 6-Hexanolide C01880 epsilon-Caprolactone hexano-6-lactone > 502-44-3 > C01880 > http://www.genome.jp/kegg/kegg2.html > http://www.genome.jp/dbget-bin/www_bget?cpd+C01880 > 10401 1 $$$$