Mrv1533004241508142D 24 25 0 0 0 0 999 V2000 2.0393 2.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7958 0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3186 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9817 0.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6904 -0.4735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4589 0.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3652 0.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8808 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6963 0.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2119 -0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0275 -0.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9119 -0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5832 1.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3551 2.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1061 2.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7502 1.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5643 1.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8556 2.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3328 3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 2.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1925 2.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9012 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 0.6993 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 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 8 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 7 17 1 0 0 0 0 18 17 1 4 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 2 23 1 0 0 0 0 23 24 2 0 0 0 0 M END > NP0248788 > NP-MRD > CC1C(O)C(O)C2=C(COC(C)=O)C(=O)OC2C=C(C)CCC1=O > InChI=1S/C17H22O7/c1-8-4-5-12(19)9(2)15(20)16(21)14-11(7-23-10(3)18)17(22)24-13(14)6-8/h6,9,13,15-16,20-21H,4-5,7H2,1-3H3 > PIUROFZVUKIBMU-UHFFFAOYSA-N > C17H22O7 > 338.356 > 338.136553048 > 5 > 46 > 33.68827514992016 > 1 > 2 > 0 > 1 > {4,5-dihydroxy-6,10-dimethyl-2,7-dioxo-2H,4H,5H,6H,7H,8H,9H,11aH-cyclodeca[b]furan-3-yl}methyl acetate > 0.27 > 0.2854048593333339 > -1.94 > 0 > 2 > 0 > 13.590021204323438 > 12.246834380927874 > -3.35859903769674 > 110.13 > 84.1418 > 3 > 1 > 3.87e+00 g/l > {4,5-dihydroxy-6,10-dimethyl-2,7-dioxo-4H,5H,6H,8H,9H,11aH-cyclodeca[b]furan-3-yl}methyl acetate > 0 > NP0248788 > {4,5-dihydroxy-6,10-dimethyl-2,7-dioxo-4h,5h,6h,8h,9h,11ah-cyclodeca[b]furan-3-yl}methyl acetate $$$$