Mrv1652309121709232D 14 15 0 0 0 0 999 V2000 -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 O 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 -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 N 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 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 O 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 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 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 5 13 1 0 0 0 0 12 14 1 0 0 0 0 M END > FDB017266 > foodb > COC1=CC2=C(NC(=O)C(O)O2)C=C1 > InChI=1S/C9H9NO4/c1-13-5-2-3-6-7(4-5)14-9(12)8(11)10-6/h2-4,9,12H,1H3,(H,10,11) > NDEPTLCFICMYLH-UHFFFAOYSA-N > C9H9NO4 > 195.1721 > 195.053157781 > 4 > 23 > 18.387282995955715 > 1 > 2 > 0 > 1 > 2-hydroxy-7-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one > 0.42 > 0.3082029876666664 > -0.99 > 0 > 2 > 0 > 12.02601353356227 > 10.060999242138859 > -4.637840909271957 > 67.79 > 48.4867 > 1 > 1 > 1.99e+01 g/l > 2-hydroxy-7-methoxy-2,4-dihydro-1,4-benzoxazin-3-one > 0 > FDB017266 > (R)-2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one $$$$