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BioLiP

PDB CCD ID: Y1H
Number of entries in BioLiP: 1
Chemical formula: C9 H9 F O3
InChI: InChI=1S/C9H9FO3/c10-8-1-6(3-11)9-7(2-8)4-12-5-13-9/h1-2,11H,3-5H2
InChIKey: YLADDVZIEBXWQU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Fc1cc2COCOc2c(c1)CO
OpenEye OEToolkits 2.0.7c1c(cc(c2c1COCO2)CO)F
CACTVS 3.385OCc1cc(F)cc2COCOc12
Name:(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methanol
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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