Mrv1533004161522142D 25 25 0 0 0 0 999 V2000 3.4906 -1.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8586 -1.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0018 -0.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3698 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5946 -0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9626 0.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3751 1.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9626 1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3751 2.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2001 2.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6126 1.8197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4376 1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8501 2.5342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8501 1.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9626 3.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3751 3.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9626 4.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1376 4.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2749 5.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0999 5.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1376 6.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1376 3.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3306 -0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1874 0.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0833 -1.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 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 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 9 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 4 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 15 22 1 0 0 0 0 6 23 1 0 0 0 0 23 24 1 0 0 0 0 6 24 1 0 0 0 0 2 25 1 0 0 0 0 M END > NP0273512 > NP-MRD > CC(C)=CCCC1(CCC(COC(C)=O)C(C)=CCC=C(C)C)CO1 > InChI=1S/C22H36O3/c1-17(2)9-7-11-19(5)21(15-24-20(6)23)12-14-22(16-25-22)13-8-10-18(3)4/h9-11,21H,7-8,12-16H2,1-6H3 > XJNUKSFBWBMNNB-UHFFFAOYSA-N > C22H36O3 > 348.527 > 348.266445019 > 2 > 61 > 41.727601186571235 > 0 > 0 > 0 > 1 > 3,7-dimethyl-2-{2-[2-(4-methylpent-3-en-1-yl)oxiran-2-yl]ethyl}octa-3,6-dien-1-yl acetate > 5.94 > 5.1546460896666675 > -5.02 > 0 > 1 > 0 > -4.201882232232807 > 38.83 > 106.9061 > 12 > 0 > 3.33e-03 g/l > 3,7-dimethyl-2-{2-[2-(4-methylpent-3-en-1-yl)oxiran-2-yl]ethyl}octa-3,6-dien-1-yl acetate > 0 > NP0273512 > 3,7-dimethyl-2-{2-[2-(4-methylpent-3-en-1-yl)oxiran-2-yl]ethyl}octa-3,6-dien-1-yl acetate $$$$