Mrv1652303192001453D 13 12 0 0 0 0 999 V2000 -4.0438 1.9393 -0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5552 -0.5552 -0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7722 -2.3159 0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1492 -0.1504 1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0918 0.9608 0.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2346 0.1207 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5823 -0.7010 0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1615 0.5950 0.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7154 0.9623 -1.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 0.7822 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2095 -0.9652 0.8447 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7779 0.8641 -2.0203 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4271 0.8339 0.1481 O 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 10 2 3 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 13 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 M END > CDB000584 > CDB > C[C@@H](CCOC=O)CCC=C(C)C > InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3/t11-/m1/s1 > DZNVIZQPWLDQHI-LLVKDONJSA-N > C11H20O2 > 184.279 > 184.146329884 > 1 > 33 > 22.309902707099116 > 1 > 0 > 0 > 1 > (3R)-3,7-dimethyloct-6-en-1-yl formate > 3.86 > 3.144482019666666 > -3.13 > 0 > 0 > 0 > -6.816485776592752 > 26.3 > 55.14710000000001 > 7 > 1 > 1.38e-01 g/l > (3R)-3,7-dimethyloct-6-en-1-yl formate > 1 > CDB000584 > Citronellolformate $$$$