Mrv1533004161518412D 14 15 0 0 0 0 999 V2000 -0.9851 -3.2777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1781 -3.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 -2.3215 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 1.1387 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.7541 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 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 2.6378 -1.5229 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 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 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 5 14 1 0 0 0 0 9 14 1 0 0 0 0 M END > NP0164096 > NP-MRD > OCCCC1OC(=O)C2=CC=CC=C12 > InChI=1S/C11H12O3/c12-7-3-6-10-8-4-1-2-5-9(8)11(13)14-10/h1-2,4-5,10,12H,3,6-7H2 > LUYZTQQSXIRSJG-UHFFFAOYSA-N > C11H12O3 > 192.214 > 192.078644246 > 2 > 26 > 20.175277061016143 > 1 > 1 > 0 > 1 > 3-(3-hydroxypropyl)-1,3-dihydro-2-benzofuran-1-one > 1.47 > 1.4749375493333334 > -1.92 > 0 > 2 > 0 > 16.027685640906693 > 14.012709480086961 > -2.374707574047413 > 46.53 > 52.11040000000002 > 3 > 1 > 2.32e+00 g/l > 3-(3-hydroxypropyl)-3H-2-benzofuran-1-one > 0 > NP0164096 > 3-(3-hydroxypropyl)-3h-2-benzofuran-1-one $$$$