Mrv1652306242119503D 31 31 0 0 0 0 999 V2000 -4.4508 0.5115 -0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1616 0.7792 0.1305 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0914 -0.0642 -0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -1.2233 -0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1371 -2.0154 -1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -3.0871 -1.7078 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0443 -1.6888 -0.5749 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2563 -0.5936 0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6009 -0.2928 0.6093 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5354 -1.4839 0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2389 0.9128 -0.0411 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3841 0.7655 -1.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 0.9888 0.4907 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8106 0.2356 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6618 1.4812 1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0007 -0.2325 0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4335 0.1244 -1.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9953 1.4873 -0.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 -1.5051 -1.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5959 -0.1290 1.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -2.3199 0.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4653 -1.7244 -0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5459 -1.2386 0.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7654 1.8701 0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0023 -0.0906 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8239 1.7070 -1.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3643 0.6804 -1.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2247 0.6893 -0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6021 1.6421 1.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5516 2.3713 0.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 1.4428 1.8952 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 8 14 2 0 0 0 0 14 15 1 0 0 0 0 14 3 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 4 19 1 0 0 0 0 9 20 1 1 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 6 0 0 0 12 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 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 M END > NP0013833 > NP-MRD > [H]O[C@@]([H])(C([H])([H])[H])[C@@]([H])(C1=C(C(OC([H])([H])[H])=C([H])C(=O)O1)C([H])([H])[H])C([H])([H])[H] > InChI=1S/C11H16O4/c1-6(8(3)12)11-7(2)9(14-4)5-10(13)15-11/h5-6,8,12H,1-4H3/t6-,8-/m0/s1 > AENOIAKWMWASSC-XDKWHASVSA-N > C11H16O4 > 212.245 > 212.104858995 > 3 > 31 > 22.26370928680426 > 1 > 1 > 0 > 1 > 6-[(2S,3S)-3-hydroxybutan-2-yl]-4-methoxy-5-methyl-2H-pyran-2-one > 1.35 > 0.814218667 > -1.65 > 0 > 1 > 0 > 15.14064612031163 > -2.737281386975692 > 55.760000000000005 > 58.084399999999995 > 3 > 1 > 4.73e+00 g/l > 6-[(2S,3S)-3-hydroxybutan-2-yl]-4-methoxy-5-methylpyran-2-one > 0 > NP0013833 > Gulypyrone A $$$$