Mrv1533004241515392D 14 15 0 0 0 0 999 V2000 0.0000 -2.4750 0.0000 O 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 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 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 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 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 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 7 13 1 0 0 0 0 13 14 1 0 0 0 0 3 14 1 0 0 0 0 M END > NP0306346 > NP-MRD > OCC1=CC(=O)C2=C(O)C=CC=C2O1 > InChI=1S/C10H8O4/c11-5-6-4-8(13)10-7(12)2-1-3-9(10)14-6/h1-4,11-12H,5H2 > ITSDTMBVFOEMOC-UHFFFAOYSA-N > C10H8O4 > 192.17 > 192.042258738 > 4 > 22 > 18.410543078855483 > 1 > 2 > 0 > 1 > 5-hydroxy-2-(hydroxymethyl)-4H-chromen-4-one > 0.85 > 1.1710779809999998 > -1.74 > 0 > 2 > 0 > 14.027012263062819 > 7.452960020391267 > -3.083400867118467 > 66.76 > 50.63180000000002 > 1 > 1 > 3.52e+00 g/l > 5-hydroxy-2-(hydroxymethyl)chromen-4-one > 0 > NP0306346 > 5-hydroxy-2-(hydroxymethyl)chromen-4-one $$$$