PDB CCD ID: | HFL |
Number of entries in BioLiP: | 1 |
Chemical formula: | C10 H12 O5 |
InChI: | InChI=1S/C10H12O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,9,11-14H,1H3/b3-2+ |
InChIKey: | QQVLKPZAOPJJCB-NSCUHMNNSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.341 | COc1cc(C=CC(O)O)cc(O)c1O | CACTVS 3.341 | COc1cc(\C=C\C(O)O)cc(O)c1O | OpenEye OEToolkits 1.5.0 | COc1cc(cc(c1O)O)\C=C\C(O)O | OpenEye OEToolkits 1.5.0 | COc1cc(cc(c1O)O)C=CC(O)O | ACDLabs 10.04 | O(c1cc(cc(O)c1O)/C=C/C(O)O)C |
|
Name: | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-BENZENE-1,2-DIOL |
DrugBank: | DB04449 |
ZINC: | ZINC000008206678 |