Mrv1652308231909052D 17 18 0 0 0 0 999 V2000 2.8579 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 11 10 1 0 0 0 0 12 6 2 0 0 0 0 12 7 1 0 0 0 0 12 10 1 0 0 0 0 13 8 2 0 0 0 0 14 9 2 0 0 0 0 14 13 1 0 0 0 0 15 11 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 2 0 0 0 0 M END > NP0078199 > NP-MRD > OC1=CC=CC=C1C(=O)CCC1=CC=CC=C1 > InChI=1S/C15H14O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2 > JCPGMXJLFWGRMZ-UHFFFAOYSA-N > C15H14O2 > 226.275 > 226.099379691 > 2 > 31 > 24.995477855321063 > 1 > 1 > 0 > 1 > 1-(2-hydroxyphenyl)-3-phenylpropan-1-one > 3.55 > 4.156236497666667 > -3.35 > 0 > 2 > 0 > 17.17466307484339 > 9.132979647561111 > -5.19615969273027 > 37.3 > 67.7646 > 4 > 1 > 1.01e-01 g/l > 1-(2-hydroxyphenyl)-3-phenylpropan-1-one > 1 > NP0078199 > 2'-Hydroxy-3-phenylpropiophenone $$$$