Mrv1652309052208202D 21 23 0 0 1 0 999 V2000 -1.4289 0.8250 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 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 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 -2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 C 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 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -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 2.1434 -0.4125 0.0000 O 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 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 O 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 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 9 15 1 0 0 0 0 4 15 1 0 0 0 0 12 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 11 20 1 0 0 0 0 20 21 2 0 0 0 0 M END > NP0209077 > NP-MRD > CCC[C@H]1OC(C)=CC2=CC3=C(C(=O)C=CC3=O)C(O)=C12 > InChI=1S/C17H16O4/c1-3-4-14-15-10(7-9(2)21-14)8-11-12(18)5-6-13(19)16(11)17(15)20/h5-8,14,20H,3-4H2,1-2H3/t14-/m1/s1 > XSRXAOMSAQPHJV-CQSZACIVSA-N > C17H16O4 > 284.311 > 284.104858995 > 4 > 37 > 30.130283176216516 > 1 > 1 > 0 > 1 > (1R)-10-hydroxy-3-methyl-1-propyl-1H,6H,9H-cyclohexa[g]isochromene-6,9-dione > 3.307102377999999 > 0 > 3 > 0 > 12.562520079017606 > 7.705565891438088 > -4.804418330892025 > 63.6 > 82.49679999999998 > 2 > 1 > (1R)-10-hydroxy-3-methyl-1-propyl-1H-cyclohexa[g]isochromene-6,9-dione > 0 > NP0209077 > (1r)-10-hydroxy-3-methyl-1-propyl-1h-cyclohexa[g]isochromene-6,9-dione $$$$