70617143 -OEChem-03182422142D 30 30 0 0 0 0 0 0 0999 V2000 2.8660 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 14 1 0 0 0 0 2 30 1 0 0 0 0 3 14 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 12 1 0 0 0 0 8 21 1 0 0 0 0 9 13 2 0 0 0 0 9 22 1 0 0 0 0 10 14 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 M END > 70617143 > 1 > 262 > 3 > 1 > 6 > AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAAwCIAAAgCIAqDSCAACAAAgAAAIiAEAAIgIIDaIERCAYAAkoAAIiAeIyOCOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 3-oxo-5-(4-vinylphenyl)pentanoic acid > 5-(4-ethenylphenyl)-3-oxopentanoic acid > 5-(4-ethenylphenyl)-3-oxopentanoic acid > 5-(4-ethenylphenyl)-3-oxopentanoic acid > 5-(4-ethenylphenyl)-3-oxidanylidene-pentanoic acid > 3-keto-5-(4-vinylphenyl)valeric acid > InChI=1S/C13H14O3/c1-2-10-3-5-11(6-4-10)7-8-12(14)9-13(15)16/h2-6H,1,7-9H2,(H,15,16) > DYJJQRWJCLAJOQ-UHFFFAOYSA-N > 2.3 > 218.094294304 > C13H14O3 > 218.25 > C=CC1=CC=C(C=C1)CCC(=O)CC(=O)O > C=CC1=CC=C(C=C1)CCC(=O)CC(=O)O > 54.4 > 218.094294304 > 0 > 16 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 12 8 11 13 8 6 8 8 6 9 8 8 12 8 9 13 8 $$$$