Mrv1652303202019022D 6 5 0 0 0 0 999 V2000 -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 M END > FDB000765 > foodb > CCCCCC > InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 > VLKZOEOYAKHREP-UHFFFAOYSA-N > C6H14 > 86.1754 > 86.109550448 > 0 > 20 > 12.296085201721699 > 1 > 0 > 0 > 0 > hexane > 4.02 > 3.1311378926666666 > -3.41 > 0 > 0 > 0 > 0.0 > 29.4082 > 3 > 1 > 3.33e-02 g/l > hexane > 1 > FDB000765 > Hexane $$$$