Mrv1652309082216222D 14 14 0 0 0 0 999 V2000 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 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 1.4289 0.8250 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 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 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 0.0000 0.8250 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 -0.3020 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 0.5230 0.0000 O 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 -2.1434 1.2375 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 1 0 0 0 0 8 9 2 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > NP0269059 > NP-MRD > COC1=CC(=O)OC=C1C(C)(O)CO > InChI=1S/C9H12O5/c1-9(12,5-10)6-4-14-8(11)3-7(6)13-2/h3-4,10,12H,5H2,1-2H3 > MZHZXCQZVTZSOE-UHFFFAOYSA-N > C9H12O5 > 200.19 > 200.068473486 > 4 > 26 > 18.953254972623967 > 1 > 2 > 0 > 0 > 5-(1,2-dihydroxypropan-2-yl)-4-methoxy-2H-pyran-2-one > -0.9273318296666662 > 0 > 1 > 0 > 15.211624658483675 > 13.399268215944964 > -3.098988296787873 > 75.99000000000001 > 49.3964 > 3 > 1 > 5-(1,2-dihydroxypropan-2-yl)-4-methoxypyran-2-one > 0 > NP0269059 > 5-(1,2-dihydroxypropan-2-yl)-4-methoxypyran-2-one $$$$