Mrv1652306242104263D 28 28 0 0 0 0 999 V2000 3.9957 0.4699 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5451 0.1610 -0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 0.0936 1.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3898 0.3164 2.2855 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4605 -0.1934 0.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1601 -0.4190 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5701 -0.7271 -0.4347 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8439 -2.0350 0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5161 0.2933 0.1277 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3508 1.6532 -0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5163 0.3305 1.5114 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6068 -0.3427 -1.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8902 -0.0706 -1.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5804 -0.0089 -2.3289 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5472 -0.3590 0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4155 0.7109 -1.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1111 1.3518 0.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3665 0.5265 2.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1617 -0.2539 1.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8242 -0.8648 -1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3527 -1.8289 1.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5153 -2.6610 -0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8985 -2.5554 0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 -0.0475 -0.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8475 1.6539 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2969 1.9328 -0.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8843 2.3784 0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4093 0.4950 1.8549 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 3 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 7 9 1 0 0 0 0 9 10 1 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 14 2 0 0 0 0 13 2 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 4 18 1 0 0 0 0 5 19 1 0 0 0 0 7 20 1 6 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 6 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 M END > NP0017590 > NP-MRD > [H]OC1=C(C(=O)OC(=C1[H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C10H14O4/c1-5(7(3)11)9-4-8(12)6(2)10(13)14-9/h4-5,7,11-12H,1-3H3/t5-,7-/m0/s1 > HCULHNPJKWMRJT-FSPLSTOPSA-N > C10H14O4 > 198.218 > 198.089208931 > 3 > 28 > 20.297700704626507 > 1 > 2 > 0 > 1 > 4-hydroxy-6-[(2S,3S)-3-hydroxybutan-2-yl]-3-methyl-2H-pyran-2-one > 0.35 > 0.8535804953333337 > -1.56 > 0 > 1 > 0 > 15.167044772168147 > 7.6500059359394355 > -2.737062761905828 > 66.75999999999999 > 53.408300000000004 > 2 > 1 > 5.52e+00 g/l > 4-hydroxy-6-[(2S,3S)-3-hydroxybutan-2-yl]-3-methylpyran-2-one > 0 > NP0017590 > Germicidin M $$$$