Mrv1652306242120293D 27 27 0 0 0 0 999 V2000 3.8078 0.0306 0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3525 0.3426 0.4458 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4651 0.1438 -0.7443 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0326 0.4215 -0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4946 1.6876 -0.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8095 1.9798 -0.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6117 1.0241 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9599 1.2357 0.2535 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 -0.2128 0.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8853 -1.2034 0.8721 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7529 -0.5502 0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2778 -1.8999 0.4119 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3512 -2.6529 0.9588 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3977 0.9739 0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7808 -0.4871 -0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2182 -0.6980 0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0737 -0.3211 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3257 1.4073 0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5842 -0.9019 -1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8001 0.8181 -1.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 2.4133 -1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2414 2.9370 -0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4125 2.1342 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8513 -0.9699 1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 -2.4810 -0.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 -1.9589 1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7892 -3.2123 0.2945 H 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 1 0 0 0 0 4 5 2 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 9 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 4 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 8 23 1 0 0 0 0 10 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 M END > NP0020405 > NP-MRD > [H]OC1=C([H])C([H])=C(C(=C1O[H])C([H])([H])O[H])C([H])([H])C([H])([H])C([H])([H])[H] > InChI=1S/C10H14O3/c1-2-3-7-4-5-9(12)10(13)8(7)6-11/h4-5,11-13H,2-3,6H2,1H3 > RNGONXOJOKTQDT-UHFFFAOYSA-N > C10H14O3 > 182.219 > 182.094294311 > 3 > 27 > 19.7517006666422 > 1 > 3 > 0 > 1 > 3-(hydroxymethyl)-4-propylbenzene-1,2-diol > 1.26 > 2.0013241246666666 > -1.73 > 0 > 1 > 0 > 13.116168689972845 > 9.65853533618138 > -2.945181947006586 > 60.69 > 51.078900000000004 > 3 > 1 > 3.40e+00 g/l > 3-(hydroxymethyl)-4-propylbenzene-1,2-diol > 0 > NP0020405 > Asperpanoid A $$$$