Mrv1533004231517272D 22 23 0 0 0 0 999 V2000 4.7609 0.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9468 0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6555 -0.7108 0.0000 O 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 2.6099 0.5656 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 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 0.7502 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 2.9610 3.5194 0.0000 O 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 0.1061 2.2240 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 -0.3652 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 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 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 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 6 17 1 0 0 0 0 10 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 9 21 1 0 0 0 0 21 22 2 0 0 0 0 M END > NP0248964 > NP-MRD > CC(=O)OCC1=CCC2C(CC(=C)C(=O)CC1)OC(=O)C2=C > InChI=1S/C17H20O5/c1-10-8-16-14(11(2)17(20)22-16)6-4-13(5-7-15(10)19)9-21-12(3)18/h4,14,16H,1-2,5-9H2,3H3 > NRPDUNZEGLWEON-UHFFFAOYSA-N > C17H20O5 > 304.342 > 304.131073744 > 3 > 42 > 31.197660109132702 > 1 > 0 > 0 > 1 > {3,10-dimethylidene-2,9-dioxo-2H,3H,3aH,4H,7H,8H,9H,10H,11H,11aH-cyclodeca[b]furan-6-yl}methyl acetate > 1.53 > 2.211263749333333 > -3.22 > 0 > 2 > 0 > -5.03873074707319 > 69.67000000000002 > 80.64729999999999 > 3 > 1 > 1.82e-01 g/l > {3,10-dimethylidene-2,9-dioxo-3aH,4H,7H,8H,11H,11aH-cyclodeca[b]furan-6-yl}methyl acetate > 0 > NP0248964 > {3,10-dimethylidene-2,9-dioxo-3ah,4h,7h,8h,11h,11ah-cyclodeca[b]furan-6-yl}methyl acetate $$$$