6998 -OEChem-01061015282D 15 15 0 0 0 0 0 0 0999 V2000 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 15 1 0 0 0 0 2 9 2 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 9 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 M END > 1 > 6998 > 1 > 101 > 2 > 1 > 1 > AAADcYBgMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASgmAIwBoAAAgCIAihSgAACAAAkIAAIiAEGCMgIJjaCFRKAcUAk4BEImYeIyCCOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA== > 2-hydroxybenzaldehyde > 2-hydroxybenzaldehyde > 2-hydroxybenzaldehyde > 2-hydroxybenzaldehyde > 2-hydroxybenzaldehyde > InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H > SMQUZDBALVYZAC-UHFFFAOYSA-N > 1.8 > 122.036779 > C7H6O2 > 122.12134 > C1=CC=C(C(=C1)C=O)O > C1=CC=C(C(=C1)C=O)O > 37.3 > 122.036779 > 0 > 9 > 0 > 0 > 0 > 0 > 0 > 1 > 5 > 12055726 > 2 > ZINC > ZINC00896073 > Acros Organics 13260 Alfa-Aesar A13833 BioSynth H-3700 Labotest LT00938388 MP Biomedicals 206570 Princeton BioMolecular BuildingBlocks PBMR016976 Ryan Scientific LT00938388 UkrOrgSynthesis BBR-006402 > 90-02-8 ZINC00896073 > 90-02-8 > ZINC00896073 > http://zinc.docking.org/ > http://zinc.docking.org/srchdb.pl?zinc=896073 > 6998 1 > 1 5 255 > 3 4 8 3 5 8 4 6 8 5 7 8 6 8 8 7 8 8 $$$$