Mrv1533004191516212D 14 15 0 0 0 0 999 V2000 -0.1712 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -1.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -2.1500 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 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 4 12 1 0 0 0 0 12 13 1 0 0 0 0 2 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > NP0237038 > NP-MRD > CC1OC2=C(O)C=C(O)C(C)=C2C1C > InChI=1S/C11H14O3/c1-5-7(3)14-11-9(13)4-8(12)6(2)10(5)11/h4-5,7,12-13H,1-3H3 > SASOPTOEUQXKMB-UHFFFAOYSA-N > C11H14O3 > 194.23 > 194.094294311 > 3 > 28 > 20.911988913876208 > 1 > 2 > 0 > 1 > 2,3,4-trimethyl-2,3-dihydro-1-benzofuran-5,7-diol > 1.92 > 2.543301653666666 > -1.75 > 0 > 2 > 0 > 11.395005773560307 > 10.073812591095992 > -4.766252253183713 > 49.69 > 53.724199999999996 > 0 > 1 > 3.47e+00 g/l > 2,3,4-trimethyl-2,3-dihydro-1-benzofuran-5,7-diol > 0 > NP0237038 > 2,3,4-trimethyl-2,3-dihydro-1-benzofuran-5,7-diol $$$$