| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:57:59 UTC |
|---|
| Update Date | 2025-03-25 00:52:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02196562 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H24O5 |
|---|
| Molecular Mass | 308.1624 |
|---|
| SMILES | CCC(CCC(C)C)COC(=O)c1ccc(O)cc1C(=O)O |
|---|
| InChI Key | KQQACTFJXMKNAQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | p-hydroxybenzoic acid alkyl esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativeshydroxybenzoic acid derivativesorganic oxidesorganooxygen compounds |
|---|
| Substituents | carboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativep-hydroxybenzoic acid alkyl esterhydroxybenzoic acidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
|---|
