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BioLiP Library

PDB CCD ID: AYW
Number of entries in BioLiP: 1
Chemical formula: C9 H8 O3
InChI: InChI=1S/C9H8O3/c1-5-2-6(10)3-8-9(5)7(11)4-12-8/h2-3,10H,4H2,1H3
InChIKey: JANZWCJQQFVOPT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1cc(cc2c1C(=O)CO2)O
CACTVS 3.385Cc1cc(O)cc2OCC(=O)c12
Name:4-methyl-6-oxidanyl-1-benzofuran-3-one
ZINC: ZINC000006760790
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)(download the PDF file).
  • 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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