Mrv1533004261512232D 14 14 0 0 0 0 999 V2000 0.7145 3.7125 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 -0.7145 3.7125 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 -1.4289 4.9500 0.0000 O 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 0.0000 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 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 7 2 1 4 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 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 9 14 1 0 0 0 0 M END > NP0183817 > NP-MRD > OC(CC(O)=O)C=CC1=CC=CC=C1 > InChI=1S/C11H12O3/c12-10(8-11(13)14)7-6-9-4-2-1-3-5-9/h1-7,10,12H,8H2,(H,13,14) > JKDYSKHGCXBPQC-UHFFFAOYSA-N > C11H12O3 > 192.214 > 192.078644246 > 3 > 26 > 20.303609444538658 > 1 > 2 > 0 > 1 > 3-hydroxy-5-phenylpent-4-enoic acid > 1.40 > 1.5905748366666663 > -2.32 > 0 > 1 > -1 > 14.907829287853488 > 4.511254512833625 > -2.9650604955387836 > 57.53 > 53.646700000000024 > 4 > 1 > 9.10e-01 g/l > 3-hydroxy-5-phenylpent-4-enoic acid > 0 > NP0183817 > 3-hydroxy-5-phenylpent-4-enoic acid $$$$