| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:05 UTC |
|---|
| Update Date | 2025-03-25 00:59:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02238018 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO3 |
|---|
| Molecular Mass | 179.0582 |
|---|
| SMILES | O=C(O)CC(=O)C=Cc1cc[nH]c1 |
|---|
| InChI Key | LLLDNUXKBGPWMY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | medium-chain keto acids and derivatives |
|---|
| Direct Parent | medium-chain keto acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsamino fatty acidsazacyclic compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsenonesfatty acylsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolesb'-hydroxy-alpha,beta-unsaturated ketones |
|---|
| Substituents | fatty acylbeta-hydroxy ketonecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha,beta-unsaturated ketonecarboxylic acid derivativebeta-keto acidketoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundenoneazacycleheteroaromatic compoundamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
|---|
