Mrv1533004161502542D 22 23 0 0 0 0 999 V2000 2.2588 -2.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5501 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3642 -1.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0273 -0.9781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3186 -0.2062 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 0.9817 0.2983 0.0000 C 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 O 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 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1447 3.0481 0.0000 C 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 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 2.0871 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 3.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4382 4.1576 0.0000 O 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 4 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 8 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 4 0 0 0 19 20 1 0 0 0 0 6 20 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > NP0234408 > NP-MRD > CC(=O)OCC1=CC2OC(=O)C(=C)C2CCC(CO)=CCC1 > InChI=1S/C17H22O5/c1-11-15-7-6-13(9-18)4-3-5-14(10-21-12(2)19)8-16(15)22-17(11)20/h4,8,15-16,18H,1,3,5-7,9-10H2,2H3 > XGODCDTVQAHYAH-UHFFFAOYSA-N > C17H22O5 > 306.358 > 306.146723808 > 3 > 44 > 32.24472359020466 > 1 > 1 > 0 > 1 > [6-(hydroxymethyl)-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-10-yl]methyl acetate > 1.98 > 1.6957497436666675 > -3.08 > 0 > 2 > 0 > 16.884787545089043 > -1.9743844176873786 > 72.83 > 82.64729999999999 > 4 > 1 > 2.53e-01 g/l > [6-(hydroxymethyl)-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-10-yl]methyl acetate > 0 > NP0234408 > [6-(hydroxymethyl)-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-10-yl]methyl acetate $$$$