1-Octanol http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=d763e369-372c-49d7-a80f-602a62b8ef7f 27 26 0 0 0 0 0 0 0999 V2000 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 M END > 957 > 1 > 43.8 > 1 > 1 > 6 > AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > octan-1-ol > 1-octanol > octan-1-ol > octan-1-ol > octan-1-ol > InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3 > KBPLFHHGFOOTCA-UHFFFAOYSA-N > 3 > 130.135765 > C8H18O > 130.22792 > CCCCCCCCO > CCCCCCCCO > 20.2 > 130.135765 > 0 > 9 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 1 3