Mrv1533004191516492D 14 15 0 0 0 0 999 V2000 4.7812 3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 1.9354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 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 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 5 14 1 0 0 0 0 M END > NP0315511 > NP-MRD > CCC(=O)C1=CC(O)=C2OCOC2=C1 > InChI=1S/C10H10O4/c1-2-7(11)6-3-8(12)10-9(4-6)13-5-14-10/h3-4,12H,2,5H2,1H3 > MMRYEEUZQALQGT-UHFFFAOYSA-N > C10H10O4 > 194.186 > 194.057908802 > 4 > 24 > 19.45474275906755 > 1 > 1 > 0 > 1 > 1-(7-hydroxy-2H-1,3-benzodioxol-5-yl)propan-1-one > 1.43 > 1.5510973276666664 > -1.48 > 0 > 2 > 0 > 16.818875845234004 > 9.22651999614574 > -4.787693554996075 > 55.760000000000005 > 48.83550000000001 > 2 > 1 > 6.43e+00 g/l > 1-(7-hydroxy-2H-1,3-benzodioxol-5-yl)propan-1-one > 0 > NP0315511 > 1-(7-hydroxy-2h-1,3-benzodioxol-5-yl)propan-1-one $$$$