Mrv1533004161521462D 25 27 0 0 0 0 999 V2000 -0.2424 2.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0349 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6226 1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 0.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0027 -0.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3803 0.2090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 -0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3602 -0.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5438 0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2871 0.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0304 0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 -0.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6996 -0.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8746 -0.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4201 -1.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6248 -1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0202 -1.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1541 -1.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9493 -1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9864 -0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6749 -0.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8642 -2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6754 1.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7604 1.5864 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 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 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 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 9 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 7 17 1 0 0 0 0 17 18 2 0 0 0 0 14 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 13 21 1 0 0 0 0 21 22 2 0 0 0 0 19 23 1 0 0 0 0 12 24 1 0 0 0 0 2 25 1 0 0 0 0 M END > NP0329911 > NP-MRD > CC(C)=CC(=O)OC1(C)C2CCC(C)=C3C(C2OC1=O)C(C)=CC3=O > InChI=1S/C20H24O5/c1-10(2)8-15(22)25-20(5)13-7-6-11(3)16-14(21)9-12(4)17(16)18(13)24-19(20)23/h8-9,13,17-18H,6-7H2,1-5H3 > XQBLMOCHFJXAAJ-UHFFFAOYSA-N > C20H24O5 > 344.407 > 344.162373873 > 3 > 49 > 37.166042986644015 > 1 > 0 > 0 > 1 > 3,6,9-trimethyl-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-3-yl 3-methylbut-2-enoate > 3.20 > 3.587555563666667 > -3.77 > 0 > 3 > 0 > 15.044517214607549 > -5.141032195898137 > 69.67 > 94.00319999999999 > 3 > 1 > 5.88e-02 g/l > 3,6,9-trimethyl-2,7-dioxo-3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-3-yl 3-methylbut-2-enoate > 0 > NP0329911 > 3,6,9-trimethyl-2,7-dioxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-3-yl 3-methylbut-2-enoate $$$$