Mrv1652306242117173D 28 29 0 0 0 0 999 V2000 -0.1017 3.0724 -0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2762 1.7836 -0.6794 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2304 0.9673 0.4525 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5595 0.2961 0.6476 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9823 -0.4275 -0.6101 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1125 -1.3902 -0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9028 -1.1069 -1.2258 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3824 -1.1112 -0.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3071 -2.0994 -0.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5849 -2.0781 -0.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9326 -1.0431 0.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0238 -0.0401 0.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3287 1.0180 1.5456 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7749 -0.1037 0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1286 3.1214 0.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5819 3.4356 0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0411 3.7460 -1.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0851 1.4920 1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4885 -0.4376 1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3155 1.0699 0.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3407 0.3375 -1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1159 -2.1748 -1.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0682 -0.7899 -0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0495 -1.8201 0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9808 -2.8825 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2568 -2.8724 -0.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9193 -0.9978 0.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2584 1.0353 1.9420 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 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 14 3 1 0 0 0 0 14 8 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 3 18 1 1 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 21 1 6 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 13 28 1 0 0 0 0 M END > NP0015235 > NP-MRD > [H]OC1=C2C(O[C@]([H])(C([H])([H])[H])C([H])([H])[C@@]2([H])OC([H])([H])[H])=C([H])C([H])=C1[H] > InChI=1S/C11H14O3/c1-7-6-10(13-2)11-8(12)4-3-5-9(11)14-7/h3-5,7,10,12H,6H2,1-2H3/t7-,10-/m1/s1 > RSQWUKMYBGIWCC-GMSGAONNSA-N > C11H14O3 > 194.23 > 194.094294311 > 3 > 28 > 20.771531316356523 > 1 > 1 > 0 > 1 > (2R,4R)-4-methoxy-2-methyl-3,4-dihydro-2H-1-benzopyran-5-ol > 1.80 > 1.7525628553333334 > -1.71 > 0 > 2 > 0 > 9.043838916154218 > -4.0821076782091925 > 38.69 > 53.05460000000001 > 1 > 1 > 3.78e+00 g/l > (2R,4R)-4-methoxy-2-methyl-3,4-dihydro-2H-1-benzopyran-5-ol > 1 > NP0015235 > (2R,4R)-3,4-dihydro-5-methoxy-2-methyl-2H-1-benzopyran-4-ol $$$$