68448658 -OEChem-03282410452D 29 30 0 0 0 0 0 0 0999 V2000 5.1350 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -0.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 0.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 10 1 0 0 0 0 2 28 1 0 0 0 0 3 12 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 9 11 2 0 0 0 0 9 21 1 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 16 2 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 M END > 68448658 > 1 > 258 > 3 > 2 > 3 > AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAACAAADASAmAAwBoAAAgCIAqBSAAACAAAkIAAIiAEGiMgJJjKCFRKAcQEkwBEJmYeIzPDOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > 2-(3,4-dihydroxyphenyl)-1-phenyl-ethanone > 2-(3,4-dihydroxyphenyl)-1-phenylethanone > 2-(3,4-dihydroxyphenyl)-1-phenylethanone > 2-(3,4-dihydroxyphenyl)-1-phenylethanone > 2-[3,4-bis(oxidanyl)phenyl]-1-phenyl-ethanone > 2-(3,4-dihydroxyphenyl)-1-phenyl-ethanone > InChI=1S/C14H12O3/c15-12-7-6-10(9-14(12)17)8-13(16)11-4-2-1-3-5-11/h1-7,9,15,17H,8H2 > VFSULFKZKQRVLH-UHFFFAOYSA-N > 2.5 > 228.078644241 > C14H12O3 > 228.24 > C1=CC=C(C=C1)C(=O)CC2=CC(=C(C=C2)O)O > C1=CC=C(C=C1)C(=O)CC2=CC(=C(C=C2)O)O > 57.5 > 228.078644241 > 0 > 17 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 8 11 12 8 13 15 8 14 16 8 15 17 8 16 17 8 5 8 8 5 9 8 7 13 8 7 14 8 8 10 8 9 11 8 $$$$