Mrv1652309062213342D 19 19 0 0 1 0 999 V2000 -0.1501 -1.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5643 -1.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2788 -1.9630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2788 -2.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9933 -1.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9933 -0.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7077 -1.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7077 -2.7880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8953 -2.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5202 -2.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8024 -1.8695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0505 -3.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7683 -4.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2986 -4.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1111 -4.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9559 -4.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6737 -4.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4256 -3.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6131 -3.7065 0.0000 O 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 6 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 13 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 8 18 1 0 0 0 0 18 19 2 0 0 0 0 M END > NP0230943 > NP-MRD > CC[C@@H](C)C(=O)O[C@]1(C)C(=O)CC(OC)=C(C)C1=O > InChI=1S/C14H20O5/c1-6-8(2)13(17)19-14(4)11(15)7-10(18-5)9(3)12(14)16/h8H,6-7H2,1-5H3/t8-,14-/m1/s1 > NYKNLDBQDASCRB-XLKFXECMSA-N > C14H20O5 > 268.309 > 268.131073744 > 4 > 39 > 27.87388729555382 > 1 > 0 > 0 > 1 > (1R)-4-methoxy-1,3-dimethyl-2,6-dioxocyclohex-3-en-1-yl (2R)-2-methylbutanoate > 2.503088998666666 > 0 > 1 > 0 > 11.02909467397492 > -4.791774901897683 > 69.67000000000002 > 70.0399 > 5 > 1 > (1R)-4-methoxy-1,3-dimethyl-2,6-dioxocyclohex-3-en-1-yl (2R)-2-methylbutanoate > 0 > NP0230943 > (1r)-4-methoxy-1,3-dimethyl-2,6-dioxocyclohex-3-en-1-yl (2r)-2-methylbutanoate $$$$