Mrv1652306242104353D 30 30 0 0 0 0 999 V2000 -4.0644 -0.3742 0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8711 -0.6744 -0.4217 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6363 -0.1012 0.2954 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4726 -0.4046 -0.6128 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7878 0.0981 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8543 -0.6098 0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9553 -1.9787 0.1552 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2126 -2.4733 -0.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8211 0.3136 0.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9752 0.0284 1.3145 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3212 1.6013 0.8687 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 1.5267 0.3271 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8728 2.3306 -0.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0686 1.8865 1.2885 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8543 -0.8784 1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0278 0.7359 0.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0078 -0.6944 0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 -1.7807 -0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9613 -0.1763 -1.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8446 0.9992 0.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5318 -0.4912 1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6835 0.1316 -1.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4302 -1.4873 -0.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4662 -2.0539 -1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 -2.1451 0.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1359 -3.5868 -0.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2032 2.3060 -1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1562 3.3942 -0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4613 1.8332 -1.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3162 2.7251 1.7519 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 6 7 1 0 0 0 0 7 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 1 0 0 0 12 5 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 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 M END > NP0018547 > NP-MRD > [H]O[C@]1(OC(=O)C(OC([H])([H])[H])=C1C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C10H16O4/c1-4-5-6-7-8(13-3)9(11)14-10(7,2)12/h12H,4-6H2,1-3H3/t10-/m0/s1 > IWSCEYNNZLAWIU-UHFFFAOYSA-N > C10H16O4 > 200.234 > 200.104858995 > 3 > 30 > 21.321370457449568 > 1 > 1 > 0 > 1 > (5S)-4-butyl-5-hydroxy-3-methoxy-5-methyl-2,5-dihydrofuran-2-one > 1.59 > 1.5916913473333334 > -1.08 > 0 > 1 > 0 > 11.40264483610801 > -4.372283148686356 > 55.760000000000005 > 52.102700000000006 > 4 > 1 > 1.67e+01 g/l > (5S)-4-butyl-5-hydroxy-3-methoxy-5-methylfuran-2-one > 0 > NP0018547 > 5-hydroxy-3-methoxy-5-methyl-4-butylfuran-2(5H)-one $$$$