PDB CCD ID: | 31R |
Number of entries in BioLiP: | 2 |
Chemical formula: | C18 H14 O5 |
InChI: | InChI=1S/C18H14O5/c19-15-10-16-14(8-12(15)6-7-17(20)21)13(9-18(22)23-16)11-4-2-1-3-5-11/h1-5,8-10,19H,6-7H2,(H,20,21) |
InChIKey: | ANHFSWPHLAPWBN-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | OC(=O)CCc1cc2c(OC(=O)C=C2c3ccccc3)cc1O | OpenEye OEToolkits 1.7.6 | c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC(=O)O | ACDLabs 12.01 | O=C(O)CCc2c(O)cc1OC(=O)C=C(c1c2)c3ccccc3 |
|
Name: | 3-(7-hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)propanoic acid |
ZINC: | ZINC000032634049 |