| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:14:55 UTC |
|---|
| Update Date | 2025-03-25 00:59:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02235435 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12O7 |
|---|
| Molecular Mass | 256.0583 |
|---|
| SMILES | COC(=O)C1(O)Oc2cc(O)cc(O)c2CC1O |
|---|
| InChI Key | HHAIOLSHJTZDLJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzopyrans |
|---|
| Subclass | 1-benzopyrans |
|---|
| Direct Parent | 1-benzopyrans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundshemiacetalshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
|---|
| Substituents | alcoholcarbonyl group1-benzopyran1-hydroxy-2-unsubstituted benzenoidhydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeoxacyclebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid estersecondary alcoholhemiacetalhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
