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BioLiP

PDB CCD ID: 2A7
Number of entries in BioLiP: 1
Chemical formula: C7 H8 O3
InChI: InChI=1S/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H3
InChIKey: HDVRLUFGYQYLFJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Oc1cc(O)cc(OC)c1
OpenEye OEToolkits 1.7.0COc1cc(cc(c1)O)O
CACTVS 3.370COc1cc(O)cc(O)c1
Name:5-METHOXY-BENZENE-1,3-DIOL
ChEMBL: CHEMBL1738712
ZINC: ZINC000000001451
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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