1031 -OEChem-02040816072D 12 11 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 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 3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 M END > 1 > 1031 > 1 > 7.2 > 1 > 1 > 1 > AAADccBAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > propan-1-ol > propan-1-ol > propan-1-ol > propan-1-ol > propan-1-ol > InChI=1/C3H8O/c1-2-3-4/h4H,2-3H2,1H3 > 0.3 > 60.057515 > C3H8O > 60.09502 > CCCO > CCCO > 20.2 > 60.057515 > 0 > 4 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 8258 > 2 > KEGG > C05979 > Is a reactant or product of enzyme EC 1.1.1.202 Is a reactant or product of enzyme EC 2.3.1.152 > 1-Hydroxypropane 1-Propanol 71-23-8 C05979 Ethylcarbinol Optal Osmosol extra Propan-1-ol Propane-1-ol Propanol Propyl alcohol UN 1274 n-Propanol n-Propyl alcohol > 71-23-8 > C05979 > http://www.genome.jp/kegg/kegg2.html > http://www.genome.jp/dbget-bin/www_bget?cpd+C05979 > 1031 1 $$$$