Mrv1652306242117003D 35 36 0 0 0 0 999 V2000 4.4561 -0.5718 -2.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0067 -0.6431 -0.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9024 -0.8967 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6014 -0.4775 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 -0.3225 -0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0373 -0.1148 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5606 1.1222 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2643 2.2451 -0.6508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8923 1.3550 0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4805 2.5979 -0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5463 3.5966 0.9292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6843 0.3280 0.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1141 -0.9130 0.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7801 -1.1268 0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2516 -2.3793 0.6916 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3014 -3.2971 -0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1525 -1.7184 1.2596 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3921 -1.1027 0.9628 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0440 0.2680 0.9674 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7777 -0.3877 -2.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4976 -0.6978 -2.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6872 -0.1867 1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7198 -1.9162 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9730 -0.7348 0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 3.0345 -1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9978 1.9186 -1.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8054 2.6721 0.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6177 3.9326 0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9672 4.4786 0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2168 3.2691 1.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2972 -4.3150 0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5932 -3.0877 -1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2426 -3.1982 -0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1689 -1.3431 1.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6826 -1.3876 -0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 3 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 9 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 13 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 14 6 1 0 0 0 0 19 12 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 M END > NP0011893 > NP-MRD > [H]C([H])=C(C#CC1=C(C(OC([H])([H])[H])=C2OC([H])([H])OC2=C1OC([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C15H16O4/c1-9(2)6-7-11-10(3)12(16-4)14-15(13(11)17-5)19-8-18-14/h1,8H2,2-5H3 > PEWAHWLMFHMALZ-UHFFFAOYSA-N > C15H16O4 > 260.289 > 260.104858995 > 4 > 35 > 28.495373058545713 > 1 > 0 > 0 > 1 > 4,7-dimethoxy-5-methyl-6-(3-methylbut-3-en-1-yn-1-yl)-2H-1,3-benzodioxole > 2.42 > 3.165765476 > -3.80 > 0 > 2 > 0 > -4.400495661586247 > 36.92 > 69.39270000000002 > 4 > 1 > 4.15e-02 g/l > 4,7-dimethoxy-5-methyl-6-(3-methylbut-3-en-1-yn-1-yl)-2H-1,3-benzodioxole > 1 > NP0011893 > Antrocamphin O $$$$