Mrv1652306242117003D 28 28 0 0 0 0 999 V2000 -4.4946 0.5705 0.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3487 0.3883 -0.3899 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0986 0.2796 0.4229 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8572 0.0931 -0.4301 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3052 0.0018 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0845 0.0995 1.7673 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6743 -0.1954 0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8997 -0.3022 -1.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8687 -0.2303 -2.2053 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1846 -0.4912 -1.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1863 -0.5606 -0.8346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 -0.4583 0.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6925 -0.2681 1.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5454 -0.1701 2.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4251 0.8943 0.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6009 -0.3922 1.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1204 1.3036 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3097 1.2818 -1.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5738 -0.5267 -0.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1609 -0.5391 1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9675 1.2519 0.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7057 0.9578 -1.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9729 -0.8360 -1.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -0.3085 -3.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3626 -0.5753 -2.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1999 -0.7095 -1.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7931 -0.5151 1.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8141 -0.0437 2.9839 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 2 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 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 7 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 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 14 28 1 0 0 0 0 M END > NP0011943 > NP-MRD > [H]OC1=C([H])C([H])=C([H])C(O[H])=C1C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] > InChI=1S/C11H14O3/c1-2-3-5-8(12)11-9(13)6-4-7-10(11)14/h4,6-7,13-14H,2-3,5H2,1H3 > QHIOHWHBWRAHKM-UHFFFAOYSA-N > C11H14O3 > 194.23 > 194.094294311 > 3 > 28 > 21.221048362081447 > 1 > 2 > 0 > 1 > 1-(2,6-dihydroxyphenyl)pentan-1-one > 2.54 > 3.8134358683333334 > -2.24 > 0 > 1 > 0 > 10.28940484335378 > 8.969217129584141 > -4.896217464310042 > 57.53 > 54.251500000000014 > 4 > 1 > 1.11e+00 g/l > 1-(2,6-dihydroxyphenyl)pentan-1-one > 0 > NP0011943 > 1-(2,6-dihydroxyphenyl)pentan-1-one $$$$