Mrv1652306242117493D 31 31 0 0 0 0 999 V2000 3.7908 0.9819 -0.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3332 1.1764 -0.7697 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5611 -0.0833 -0.3304 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7364 -0.2111 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1766 -0.0208 -0.8490 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7305 -1.1465 -0.5406 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9265 -1.3250 0.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4633 -2.1912 1.7024 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7911 -0.2570 1.2462 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7887 -0.1517 0.2242 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1999 1.2520 -0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1622 -0.8431 -0.9640 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8204 -2.0638 -1.1159 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4478 1.3945 -1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0258 -0.1004 -0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0679 1.5258 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9688 2.0298 -0.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2058 1.3493 -1.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1305 -0.9171 -0.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6025 0.4497 1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 0.2000 1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0623 -1.2191 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2601 0.1041 -1.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2815 0.9361 -0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4581 -2.0910 -1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6735 -0.7061 0.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5831 1.7990 -0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2367 1.2142 -0.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3328 1.7787 0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2188 -0.2613 -1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5754 -2.6032 -0.3030 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 3 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 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 6 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 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 6 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 6 0 0 0 10 26 1 1 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 6 0 0 0 13 31 1 0 0 0 0 M END > NP0003690 > NP-MRD > [H]O[C@@]1([H])[C@@]([H])(OC(=O)[C@]1([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C10H18O3/c1-4-6(2)5-8-9(11)7(3)13-10(8)12/h6-9,11H,4-5H2,1-3H3/t6-,7+,8-,9+/m1/s1 > XLTJPTCOHHVWLA-HNACHXKJSA-N > C10H18O3 > 186.251 > 186.12559444 > 2 > 31 > 20.494922671741683 > 1 > 1 > 0 > 1 > (3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one > 1.85 > 1.8108415529999997 > -1.12 > 0 > 1 > 0 > 13.681847383815228 > -3.375359954319218 > 46.53 > 48.8605 > 3 > 1 > 1.41e+01 g/l > (3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one > 0 > NP0003690 > MKN-004D $$$$