Mrv1652309102208102D 13 13 0 0 0 0 999 V2000 -0.7145 4.5375 0.0000 C 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 O 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 0.0000 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 0.7145 -1.2375 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 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 4 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 7 13 1 0 0 0 0 M END > NP0296534 > NP-MRD > CC(=O)CC=CC1=CC=C(O)C=C1 > InChI=1S/C11H12O2/c1-9(12)3-2-4-10-5-7-11(13)8-6-10/h2,4-8,13H,3H2,1H3 > FUPASICGTRMSPX-UHFFFAOYSA-N > C11H12O2 > 176.215 > 176.083729626 > 2 > 25 > 19.37837973700543 > 1 > 1 > 0 > 1 > 5-(4-hydroxyphenyl)pent-4-en-2-one > 2.2469699796666665 > 0 > 1 > 0 > 16.2034203880423 > 9.531706012359342 > -5.9477110419949755 > 37.3 > 53.216200000000015 > 3 > 1 > 5-(4-hydroxyphenyl)pent-4-en-2-one > 1 > NP0296534 > 5-(4-hydroxyphenyl)pent-4-en-2-one $$$$