Mrv1533004241510592D 17 17 0 0 0 0 999 V2000 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 1.4289 -1.6500 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 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 O 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 0.7145 2.0625 0.0000 O 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 2.8579 0.0000 0.0000 C 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 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 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 4 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 M END > NP0327940 > NP-MRD > CC(=O)C1=C(O)C=C(O)C=C1OCCCCO > InChI=1S/C12H16O5/c1-8(14)12-10(16)6-9(15)7-11(12)17-5-3-2-4-13/h6-7,13,15-16H,2-5H2,1H3 > MWNRQKCSZFAAGI-UHFFFAOYSA-N > C12H16O5 > 240.255 > 240.099773615 > 5 > 33 > 24.928058271423687 > 1 > 3 > 0 > 1 > 1-[2,4-dihydroxy-6-(4-hydroxybutoxy)phenyl]ethan-1-one > 1.10 > 1.303311823666667 > -2.48 > 0 > 1 > 0 > 9.908578830723417 > 7.933686232387109 > -2.3742073072008267 > 86.99000000000001 > 62.68810000000001 > 6 > 1 > 7.94e-01 g/l > 1-[2,4-dihydroxy-6-(4-hydroxybutoxy)phenyl]ethanone > 0 > NP0327940 > 1-[2,4-dihydroxy-6-(4-hydroxybutoxy)phenyl]ethanone $$$$