7095 -OEChem-08010816302D 22 23 0 0 0 0 0 0 0999 V2000 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 5 9 2 0 0 0 0 5 15 1 0 0 0 0 6 10 2 0 0 0 0 6 16 1 0 0 0 0 7 11 2 0 0 0 0 7 17 1 0 0 0 0 8 12 2 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 M END > 1 > 7095 > 1 > 100 > 0 > 0 > 1 > AAADccBwAAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGAAAAAAADACAGAAwAIAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > phenylbenzene > phenylbenzene > phenylbenzene > phenylbenzene > phenylbenzene > InChI=1/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H > 4 > 154.07825 > C12H10 > 154.2078 > C1=CC=C(C=C1)C2=CC=CC=C2 > C1=CC=C(C=C1)C2=CC=CC=C2 > 0 > 154.07825 > 0 > 12 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 8816 > 4 > KEGG > C06588 > CAS: 92-52-4 ChEBI: 17097 3DMET: B00985 Is a reactant or product of enzyme EC 1.14.12.18 > 1,1'-Biphenyl 1,1'-Diphenyl 92-52-4 Biphenyl C06588 Phenylbenzene > 92-52-4 > C06588 > http://www.genome.jp/kegg/kegg2.html > http://www.genome.jp/dbget-bin/www_bget?cpd+C06588 > 7095 1 > 1 3 8 1 5 8 10 12 8 2 4 8 2 6 8 3 7 8 4 8 8 5 9 8 6 10 8 7 11 8 8 12 8 9 11 8 $$$$