Mrv1652304282209442D 14 15 0 0 1 0 999 V2000 -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 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 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 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 2 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 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 O 0 0 0 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 0.8250 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 -1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 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 4 11 1 0 0 0 0 7 12 1 1 0 0 0 2 13 1 0 0 0 0 1 14 1 0 0 0 0 M END > NP0063300 > NP-MRD > C[C@H]1CC(=O)OC2=CC(C)=C(O)C=C12 > InChI=1S/C11H12O3/c1-6-4-11(13)14-10-3-7(2)9(12)5-8(6)10/h3,5-6,12H,4H2,1-2H3/t6-/m0/s1 > GFKKBNXSTILZPT-LURJTMIESA-N > C11H12O3 > 192.214 > 192.078644246 > 2 > 26 > 20.176796797569484 > 1 > 1 > 0 > 1 > (4S)-6-hydroxy-4,7-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one > 2.19 > 2.383044623 > -2.13 > 0 > 2 > 0 > 9.778786720811059 > -5.91315970657 > 46.53 > 52.026 > 0 > 1 > 1.43e+00 g/l > (4S)-6-hydroxy-4,7-dimethyl-3,4-dihydro-1-benzopyran-2-one > 0 > NP0063300 > 3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one $$$$