| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:13:57 UTC |
|---|
| Update Date | 2025-03-21 18:33:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00095480 |
|---|
| Frequency | 29.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12O5 |
|---|
| Molecular Mass | 236.0685 |
|---|
| SMILES | O=C1CCC(Cc2ccc(O)c(C(=O)O)c2)O1 |
|---|
| InChI Key | UXNOZCJBZKYUKF-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 heteromonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofuransvinylogous acids |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativelactoneorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundtetrahydrofurangamma butyrolactoneoxacyclevinylogous acidorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
|---|
