Mrv1533004251515142D 21 23 0 0 0 0 999 V2000 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3570 -0.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8419 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6669 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3570 -1.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6119 -2.2771 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 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 6 20 1 0 0 0 0 10 20 1 0 0 0 0 17 21 1 0 0 0 0 M END > NP0212572 > NP-MRD > CC(=O)OCC1=CC=CC2(C)CC3OC(=O)C(C)=C3CC12 > InChI=1S/C17H20O4/c1-10-13-7-14-12(9-20-11(2)18)5-4-6-17(14,3)8-15(13)21-16(10)19/h4-6,14-15H,7-9H2,1-3H3 > BNDINTDCMRWSFR-UHFFFAOYSA-N > C17H20O4 > 288.343 > 288.136159124 > 2 > 41 > 30.598154140371676 > 1 > 0 > 0 > 1 > {3,8a-dimethyl-2-oxo-2H,4H,4aH,8aH,9H,9aH-naphtho[2,3-b]furan-5-yl}methyl acetate > 3.00 > 2.074836483666667 > -3.79 > 0 > 3 > 0 > 13.270206321347562 > -6.639255731923807 > 52.6 > 80.0416 > 3 > 1 > 4.65e-02 g/l > {3,8a-dimethyl-2-oxo-4H,4aH,9H,9aH-naphtho[2,3-b]furan-5-yl}methyl acetate > 0 > NP0212572 > {3,8a-dimethyl-2-oxo-4h,4ah,9h,9ah-naphtho[2,3-b]furan-5-yl}methyl acetate $$$$