Mrv1652304292201202D 14 15 0 0 1 0 999 V2000 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 -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 -0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 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 1.4289 0.8250 0.0000 O 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 2.1434 -1.2375 0.0000 C 0 0 1 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 2.8579 -1.6500 0.0000 C 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 6 7 1 0 0 0 0 3 8 1 0 0 0 0 2 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 12 13 1 0 0 0 0 1 13 1 0 0 0 0 12 14 1 6 0 0 0 M END > NP0078243 > NP-MRD > C[C@@H]1CC2=C(C(O)=CC=C2C)C(=O)O1 > InChI=1S/C11H12O3/c1-6-3-4-9(12)10-8(6)5-7(2)14-11(10)13/h3-4,7,12H,5H2,1-2H3/t7-/m1/s1 > YETSBBYQOFXYGV-SSDOTTSWSA-N > C11H12O3 > 192.214 > 192.078644246 > 2 > 26 > 20.035586850975267 > 1 > 1 > 0 > 1 > (3R)-8-hydroxy-3,5-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one > 2.29 > 3.093042378666666 > -1.99 > 0 > 2 > 0 > 10.02116390929991 > -4.2515798686191575 > 46.53 > 52.833800000000004 > 0 > 1 > 1.96e+00 g/l > (3R)-8-hydroxy-3,5-dimethyl-3,4-dihydro-2-benzopyran-1-one > 0 > NP0078243 > 5-Methylmellein $$$$