Mrv1652306242118173D 26 26 0 0 0 0 999 V2000 -0.6505 2.0530 0.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4731 0.8555 0.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8286 0.7493 0.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5422 -0.4229 0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8238 -1.5002 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4781 -1.3992 -0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7455 -0.2510 0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -0.2916 0.1992 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9622 -1.6601 0.6664 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5371 -0.1508 -0.9704 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9349 -0.3143 -0.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 0.2415 -1.2266 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1912 -0.9322 0.5891 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3263 2.5218 -0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3121 2.8242 1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 1.9229 1.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3617 1.6503 1.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5902 -0.4378 0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4067 -2.4393 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9754 -2.2990 -0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0841 0.2588 1.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0797 -2.2348 -0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4192 -0.7203 -1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5386 1.0002 -1.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 -0.3018 -1.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2812 1.2778 -1.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 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 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 7 2 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 3 17 1 0 0 0 0 4 18 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 8 21 1 1 0 0 0 9 22 1 0 0 0 0 10 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 M END > NP0005128 > NP-MRD > [H]O[C@]([H])(C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])C(=O)N([H])[H] > InChI=1S/C10H13NO2/c1-7-4-2-3-5-8(7)9(12)6-10(11)13/h2-5,9,12H,6H2,1H3,(H2,11,13)/t9-/m0/s1 > LKTRKUPEDMMAQL-UHFFFAOYSA-N > C10H13NO2 > 179.219 > 179.094628663 > 2 > 26 > 19.47128326390284 > 1 > 2 > 0 > 1 > (3S)-3-hydroxy-3-(2-methylphenyl)propanamide > 0.44 > 0.6871379389999996 > -1.78 > 0 > 1 > 0 > 16.700484573780518 > 14.266192109903653 > -2.656474593127003 > 63.32 > 50.191500000000005 > 3 > 1 > 2.97e+00 g/l > (3S)-3-hydroxy-3-(2-methylphenyl)propanamide > 0 > NP0005128 > U-77864 $$$$