Mrv1652309032219182D 15 15 0 0 0 0 999 V2000 -1.4289 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 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 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 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 0.0000 0.8250 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 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 13 14 1 0 0 0 0 14 15 2 0 0 0 0 10 15 1 0 0 0 0 M END > NP0179161 > NP-MRD > CC(O)C(C)C(=O)\C=C\C1=CC=CC=C1 > InChI=1S/C13H16O2/c1-10(11(2)14)13(15)9-8-12-6-4-3-5-7-12/h3-11,14H,1-2H3/b9-8+ > GWIXCISDIUTREC-CMDGGOBGSA-N > C13H16O2 > 204.269 > 204.115029755 > 2 > 31 > 23.107421968607014 > 1 > 1 > 0 > 1 > (1E)-5-hydroxy-4-methyl-1-phenylhex-1-en-3-one > 2.845037776 > 0 > 1 > 0 > 18.943980886014355 > 15.097684912416366 > -2.755777370053689 > 37.3 > 62.00590000000001 > 4 > 1 > (1E)-5-hydroxy-4-methyl-1-phenylhex-1-en-3-one > 1 > NP0179161 > (1e)-5-hydroxy-4-methyl-1-phenylhex-1-en-3-one $$$$