Mrv1533004151519332D 22 23 0 0 0 0 999 V2000 5.8263 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2388 1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3013 2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9513 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9513 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3013 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2388 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 -1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 -1.1270 0.0000 C 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 6 12 1 0 0 0 0 12 13 2 0 0 0 0 3 13 1 0 0 0 0 13 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 17 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M END > NP0139965 > NP-MRD > COC1=CC=C2C=CC(=O)OC2=C1C(COC(C)=O)C(C)=C > InChI=1S/C17H18O5/c1-10(2)13(9-21-11(3)18)16-14(20-4)7-5-12-6-8-15(19)22-17(12)16/h5-8,13H,1,9H2,2-4H3 > KJRYZFDEVYMOEY-UHFFFAOYSA-N > C17H18O5 > 302.326 > 302.11542368 > 3 > 40 > 30.84721212527856 > 1 > 0 > 0 > 1 > 2-(7-methoxy-2-oxo-2H-chromen-8-yl)-3-methylbut-3-en-1-yl acetate > 2.68 > 2.3370399743333334 > -4.32 > 0 > 2 > 0 > -4.839878789204022 > 61.830000000000005 > 82.13290000000002 > 6 > 1 > 1.46e-02 g/l > 2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-1-yl acetate > 0 > NP0139965 > Isomurralonginol acetate $$$$