KOJ
5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE
| Created: | 2001-11-23 |
| Last modified: | 2011-06-04 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 16 |
| Chiral Atom Count | 0 |
| Bond Count | 16 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | 5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE |
| Systematic Name (OpenEye OEToolkits) | 5-hydroxy-2-(hydroxymethyl)pyran-4-one |
| Formula | C6 H6 O4 |
| Molecular Weight | 142.109 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C=C(OC=C1O)CO |
| SMILES | CACTVS | 3.341 | OCC1=CC(=O)C(=CO1)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(OC=C(C1=O)O)CO |
| Canonical SMILES | CACTVS | 3.341 | OCC1=CC(=O)C(=CO1)O |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(OC=C(C1=O)O)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2 |
| InChIKey | InChI | 1.03 | BEJNERDRQOWKJM-UHFFFAOYSA-N |
Drug Info: DrugBank
| DrugBank ID | DB01759 |
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| Name | Kojic acid |
| Groups | experimental |
| Synonyms |
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| Brand Names |
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| CAS number | 501-30-4 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 3840 |
| ChEMBL | CHEMBL287556 |
| ChEBI | CHEBI:43572 |
| CCDC/CSD | ZZZFMU01, ZZZFMU02, ZZZFMU04, ZZZFMU03, ZZZFMU05 |
