Mrv1533004241518282D 13 12 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 O 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 1.2375 -0.1105 0.0000 O 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 4.0954 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8099 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 2.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2388 2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9533 2.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6677 2.7770 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 3 0 0 0 0 8 9 1 0 0 0 0 9 10 3 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 4 0 0 0 M END > NP0164241 > NP-MRD > COC(=O)CCC#CC#CC=CC > InChI=1S/C11H12O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4H,9-10H2,1-2H3 > SUBPZNAQAWTPJI-UHFFFAOYSA-N > C11H12O2 > 176.215 > 176.083729626 > 1 > 25 > 20.78377368311905 > 1 > 0 > 0 > 1 > methyl dec-8-en-4,6-diynoate > 2.95 > 2.5425565163333332 > -3.86 > 0 > 0 > 0 > -7.034463656896269 > 26.3 > 54.0861 > 6 > 1 > 2.45e-02 g/l > methyl dec-8-en-4,6-diynoate > 1 > NP0164241 > methyl dec-8-en-4,6-diynoate $$$$