Mrv1652306242117493D 31 31 0 0 0 0 999 V2000 3.1977 -1.4605 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2858 -0.4037 -0.1271 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0418 0.8856 -0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1128 -0.2547 0.8402 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1359 0.7628 0.3782 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4975 0.5146 -0.9529 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4224 1.7049 -1.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3524 2.5797 -2.0358 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3249 1.5262 -0.1162 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5868 0.1330 0.0247 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0045 -0.0765 -0.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5701 -0.5521 -0.8944 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0826 -1.7274 -0.4144 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2410 -1.3469 0.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7739 -2.4613 0.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1382 -1.3638 1.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8901 -0.7497 -1.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 1.7113 -0.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9027 0.6978 -0.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4192 1.1566 0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5619 0.1331 1.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6552 -1.2288 0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6663 1.7597 0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6535 0.8663 1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1906 0.4043 -1.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4873 -0.2080 1.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2599 0.6565 -1.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1639 -1.0763 -0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6948 0.1213 0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0269 -0.6333 -1.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -2.0705 0.3943 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 2 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 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 6 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 3 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 > NP0003689 > NP-MRD > [H]O[C@@]1([H])[C@@]([H])(OC(=O)[C@@]1([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C10H18O3/c1-6(2)4-5-8-9(11)7(3)13-10(8)12/h6-9,11H,4-5H2,1-3H3/t7-,8-,9-/m0/s1 > KBJCRTCKPJQWOP-CIUDSAMLSA-N > C10H18O3 > 186.251 > 186.12559444 > 2 > 31 > 20.458571404869048 > 1 > 1 > 0 > 1 > (3S,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one > 1.74 > 1.8108415529999997 > -1.14 > 0 > 1 > 0 > 13.682312088807851 > -3.3751566923554455 > 46.53 > 48.8605 > 3 > 1 > 1.34e+01 g/l > (3S,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one > 0 > NP0003689 > MKN-004C $$$$