| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:56:25 UTC |
|---|
| Update Date | 2025-03-25 00:52:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02193040 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H26O4 |
|---|
| Molecular Mass | 306.1831 |
|---|
| SMILES | CCCC(O)C=CCCCCCc1cccc(O)c1C(=O)O |
|---|
| InChI Key | MPJICCJCRQMJBE-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 derivativesfatty alcoholshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsvinylogous 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 compoundsecondary alcoholphenolhydrocarbon derivativeorganooxygen compound |
|---|
