BioLiP

PDB

BioLiP

PDB CCD ID:

A1L2D

Number of entries in BioLiP:

Chemical formula:

C12 H10 O5

InChI:

InChI=1S/C12H10O5/c1-2-16-12(15)9-6-11(14)17-10-5-7(13)3-4-8(9)10/h3-6,13H,2H2,1H3

InChIKey:

SNMUERBNQDOIQB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCOC(=O)C1=CC(=O)Oc2c1ccc(c2)O
CACTVS 3.385	CCOC(=O)C1=CC(=O)Oc2cc(O)ccc12

Name:

ethyl 7-oxidanyl-2-oxidanylidene-chromene-4-carboxylate

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).