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BioLiP

PDB CCD ID: MV0
Number of entries in BioLiP: 0
Chemical formula: C11 H10 O4
InChI: InChI=1S/C11H10O4/c1-6(12)7-3-4-9(14-2)10-8(13)5-15-11(7)10/h3-4H,5H2,1-2H3
InChIKey: NPJPMDJXSQUZBY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CC(=O)c1ccc(OC)c2c1OCC2=O
OpenEye OEToolkits 2.0.7CC(=O)c1ccc(c2c1OCC2=O)OC
CACTVS 3.385COc1ccc(C(C)=O)c2OCC(=O)c12
Name:7-acetyl-4-methoxy-1-benzofuran-3(2H)-one
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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