Mrv1652309032211382D 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 0.0000 0.8250 0.0000 O 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 0.7145 -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 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 C 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 2.8579 -1.6500 0.0000 C 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 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 3 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 11 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 7 14 1 0 0 0 0 M END > NP0172667 > NP-MRD > COC1=CC=CC2=C1C(=O)C[C@@H](C)O2 > InChI=1S/C11H12O3/c1-7-6-8(12)11-9(13-2)4-3-5-10(11)14-7/h3-5,7H,6H2,1-2H3/t7-/m1/s1 > XTAMLDAUJXMPMY-SSDOTTSWSA-N > C11H12O3 > 192.214 > 192.078644246 > 3 > 26 > 20.067370451823198 > 1 > 0 > 0 > 1 > (2R)-5-methoxy-2-methyl-3,4-dihydro-2H-1-benzopyran-4-one > 1.90 > 1.570467587 > -2.02 > 0 > 2 > 0 > 14.290296705024147 > -4.597228188722043 > 35.53 > 51.9463 > 1 > 1 > 1.83e+00 g/l > (2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzopyran-4-one > 1 > NP0172667 > (2r)-5-methoxy-2-methyl-2,3-dihydro-1-benzopyran-4-one $$$$