Mrv1533007141517462D 14 13 0 0 0 0 999 V2000 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9052 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7618 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1908 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1908 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 2.6664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7618 0.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 10 2 0 0 0 0 12 9 1 0 0 0 0 12 10 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 M END > NP0046864 > NP-MRD > [H]\C(CCCCCC)=C(\[H])OC(C)=O > InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h8-9H,3-7H2,1-2H3/b9-8+ > BQZSFXARLMHSGX-CMDGGOBGSA-N > C10H18O2 > 170.252 > 170.13067982 > 1 > 30 > 21.130274119750403 > 1 > 0 > 0 > 1 > (1E)-oct-1-en-1-yl acetate > 4.20 > 3.036701061333333 > -3.61 > 0 > 0 > 0 > -7.116663893290017 > 26.3 > 49.783500000000004 > 7 > 1 > 4.14e-02 g/l > (1E)-oct-1-en-1-yl acetate > 1 > NP0046864 > Octen-1-ol acetate $$$$