Mrv1652306242018322D 17 16 0 0 1 0 999 V2000 -4.4270 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1467 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7177 3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5743 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4322 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2836 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5691 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8546 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1401 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0033 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2888 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7177 2.5559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5743 2.1434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4322 2.9684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1401 1.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 13 12 1 0 0 0 0 14 3 1 1 0 0 0 14 6 1 0 0 0 0 14 12 1 0 0 0 0 15 4 1 1 0 0 0 15 11 1 0 0 0 0 15 13 1 0 0 0 0 14 16 1 6 0 0 0 15 17 1 6 0 0 0 M END > CDB006143 > CDB > [H][C@](C)(CC)CC[C@@]([H])(C)CCCCCCC > InChI=1S/C15H32/c1-5-7-8-9-10-11-15(4)13-12-14(3)6-2/h14-15H,5-13H2,1-4H3/t14-,15-/m0/s1 > CZZOBJTWKAKCID-GJZGRUSLSA-N > C15H32 > 212.421 > 212.25040103 > 0 > 47 > 30.337197527591066 > 1 > 0 > 0 > 0 > (3S,6S)-3,6-dimethyltridecane > 8.09 > 6.817156740333333 > -6.81 > 0 > 0 > 0 > 0.0 > 70.71239999999999 > 10 > 0 > 3.33e-05 g/l > (3S,6S)-3,6-dimethyltridecane > 1 > CDB006143 > Sorbitol $$$$