BioLiP

PDB

BioLiP

PDB CCD ID:

AYW

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1cc(cc2c1C(=O)CO2)O
CACTVS 3.385	Cc1cc(O)cc2OCC(=O)c12

Name:

4-methyl-6-oxidanyl-1-benzofuran-3-one

ZINC:

ZINC000006760790

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).