Dihydroferulic acid sulfate (Compound)
Go to Compound classification| ID | 1565 |
|---|---|
| Name | Dihydroferulic acid sulfate |
| Synonyms | Dihydroferulic acid 4-sulfate |
| Structure |  |
| Description | |
| Classification | Compounds > Chemical entities > Organic compounds > Organic acids and derivatives > Organic sulfuric acids and derivatives > Arylsulfates > Phenylsulfates |
| CAS number | 86321-33-7 |
| PubChem ID | 187489 |
| ChEBI ID | |
| FooDB ID | FDB029890 |
| HMDB ID | HMDB0041724 |
Chemical data
MolDBi data
| IUPAC Name | 3-[3-methoxy-4-(sulfooxy)phenyl]propanoic acid |
|---|---|
| Traditional IUPAC Name | 3-[3-methoxy-4-(sulfooxy)phenyl]propanoic acid |
| Formula | C10H12O7S |
| InChI | InChI=1S/C10H12O7S/c1-16-9-6-7(3-5-10(11)12)2-4-8(9)17-18(13,14)15/h2,4,6H,3,5H2,1H3,(H,11,12)(H,13,14,15) |
| InChI Key | UMCDODPBPQMWQP-UHFFFAOYSA-N |
| Molecular weight | 276.263 |
| Exact mass | 276.030373428 |
| SMILES | COC1=C(OS(O)(=O)=O)C=CC(CCC(O)=O)=C1 |
ClassyFire Taxonomy
| Description | belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. |
|---|---|
| Kingdom | Organic compounds |
| Super Class | Organic acids and derivatives |
| Class | Organic sulfuric acids and derivatives |
| Sub Class | Arylsulfates |
| Direct Parent | Phenylsulfates |
| Alternative Parents |