Mrv1533004191515452D 14 15 0 0 0 0 999 V2000 -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 O 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 2.8579 0.0000 0.0000 O 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 4.2868 -0.0000 0.0000 O 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 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 0.0000 -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 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 5 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 3 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > NP0302848 > NP-MRD > COC1=CC2=C(CCC(=O)O2)C=C1O > InChI=1S/C10H10O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h4-5,11H,2-3H2,1H3 > RQSKEMWBCJHQMX-UHFFFAOYSA-N > C10H10O4 > 194.186 > 194.057908802 > 3 > 24 > 19.122498573405537 > 1 > 1 > 0 > 1 > 6-hydroxy-7-methoxy-3,4-dihydro-2H-1-benzopyran-2-one > 1.57 > 1.4249328716666663 > -1.76 > 0 > 2 > 0 > 9.869822186719878 > -4.902926736364504 > 55.760000000000005 > 48.89940000000001 > 1 > 1 > 3.40e+00 g/l > 6-hydroxy-7-methoxy-3,4-dihydro-1-benzopyran-2-one > 0 > NP0302848 > 6-hydroxy-7-methoxy-3,4-dihydro-1-benzopyran-2-one $$$$