PDB CCD ID: | SN1 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C9 H8 O4 |
InChI: | InChI=1S/C9H8O4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ |
InChIKey: | HGEFWFBFQKWVMY-DUXPYHPUSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | c1cc(c(cc1O)O)C=CC(=O)O | CACTVS 3.341 | OC(=O)C=Cc1ccc(O)cc1O | CACTVS 3.341 | OC(=O)\C=C\c1ccc(O)cc1O | ACDLabs 10.04 | O=C(O)/C=C/c1ccc(O)cc1O | OpenEye OEToolkits 1.5.0 | c1cc(c(cc1O)O)\C=C\C(=O)O |
|
Name: | 2,4-DIHYDROXY-TRANS CINNAMIC ACID |
ChEMBL: | CHEMBL1235981 |
DrugBank: | DB01704 |
ZINC: | ZINC000002043461 |