| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:18:04 UTC |
|---|
| Update Date | 2025-03-21 18:35:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00105600 |
|---|
| Frequency | 25.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H26O5 |
|---|
| Molecular Mass | 346.178 |
|---|
| SMILES | O=C(O)C=CCC=CCCCCCCCc1cccc(O)c1C(=O)O |
|---|
| InChI Key | AJTSHONCJSNSHN-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 benzenoidsbenzoic acidsbenzoyl derivativescarbocyclic fatty acidscarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesunsaturated fatty acidsvinylogous acids |
|---|
| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidfatty acidsalicylic acidcarboxylic acid derivativemedium-chain hydroxy acidunsaturated fatty acidorganic oxidemedium-chain fatty acidhydroxy fatty acid1-carboxy-2-haloaromatic compoundbenzoic acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
|---|
