Mrv1652306242117193D 29 29 0 0 0 0 999 V2000 3.5396 0.4289 0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1305 0.1845 0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7012 -1.0613 0.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3217 -1.3560 -0.0456 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3873 -1.5624 -1.4318 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -0.1304 0.2768 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9694 -0.4773 0.1094 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2921 -0.9214 -1.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9048 0.5656 0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7403 0.3552 1.4195 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9183 1.8143 -0.0866 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0294 0.9868 -0.5681 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3640 1.3540 -0.1053 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2104 -0.2517 0.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6391 0.1892 1.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8741 1.4496 0.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -1.8671 0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0315 -2.2476 0.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0993 -2.2289 -1.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3347 0.1179 1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1354 -1.4017 0.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4128 -0.9008 -1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9048 -0.1980 -2.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9883 -1.9585 -1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9152 2.6150 0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6281 1.9163 -0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0106 0.6157 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2257 2.0526 0.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9054 1.9177 -0.8887 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 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 6 12 1 0 0 0 0 12 13 1 0 0 0 0 13 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 1 0 0 0 5 19 1 0 0 0 0 6 20 1 1 0 0 0 7 21 1 1 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 M END > NP0015450 > NP-MRD > [H]OC(=O)[C@@]([H])(C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])C(=C([H])[C@]1([H])O[H])C([H])([H])[H] > InChI=1S/C10H16O3/c1-6-3-4-8(9(11)5-6)7(2)10(12)13/h5,7-9,11H,3-4H2,1-2H3,(H,12,13)/t7-,8-,9-/m0/s1 > CGYKSQWHFBGCRB-CIUDSAMLSA-N > C10H16O3 > 184.235 > 184.109944375 > 3 > 29 > 19.987724162734885 > 1 > 2 > 0 > 1 > (2S)-2-[(1S,2R)-2-hydroxy-4-methylcyclohex-3-en-1-yl]propanoic acid > 0.99 > 1.3503265426666666 > -1.02 > 0 > 1 > -1 > 14.573936835200975 > 4.688500448773679 > -2.997502856215317 > 57.53 > 49.8326 > 2 > 1 > 1.74e+01 g/l > (2S)-2-[(1S,2R)-2-hydroxy-4-methylcyclohex-3-en-1-yl]propanoic acid > 0 > NP0015450 > 2-(2-hydroxy-4-methylcyclohex-3-enyl)propanoic acid $$$$