| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:35 UTC |
|---|
| Update Date | 2025-03-21 18:33:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00097042 |
|---|
| Frequency | 28.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H20O4 |
|---|
| Molecular Mass | 252.1362 |
|---|
| SMILES | O=C(O)c1c(O)cccc1CCCCCCCO |
|---|
| InChI Key | SSDWSKGAEVXEFG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | salicylic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalcohols and polyolsbenzoic acidsbenzoyl derivativesfatty alcoholshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesvinylogous acids |
|---|
| Substituents | fatty acylcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativeorganic oxidefatty alcohol1-carboxy-2-haloaromatic compoundbenzoic acidalcohol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeorganooxygen compound |
|---|
