| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-20 23:50:02 UTC |
|---|
| Update Date | 2025-03-21 18:02:32 UTC |
|---|
| HMDB ID | HMDB0250302 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00038627 |
|---|
| Name | Citraconic anhydride |
|---|
| Frequency | 90.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H4O3 |
|---|
| Molecular Mass | 112.016 |
|---|
| SMILES | CC1=CC(=O)OC1=O |
|---|
| InChI Key | AYKYXWQEBUNJCN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | dihydrofurans |
|---|
| Subclass | furanones |
|---|
| Direct Parent | butenolides |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid anhydridesdicarboxylic acids and derivativesdihydrofuranshydrocarbon derivativeslactonesorganic oxidesoxacyclic compounds |
|---|
| Substituents | carbonyl groupcarboxylic acid derivativelactoneoxacycle2-furanoneorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundcarboxylic acid anhydridedicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
