| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:31 UTC |
|---|
| Update Date | 2025-03-21 18:28:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00072990 |
|---|
| Frequency | 40.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12O6 |
|---|
| Molecular Mass | 240.0634 |
|---|
| SMILES | O=C(O)C1(O)Cc2c(O)cc(O)cc2CC1O |
|---|
| InChI Key | DAMBOGFKBIHXRC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | naphthalenes |
|---|
| Subclass | naphthalenecarboxylic acids and derivatives |
|---|
| Direct Parent | naphthalenecarboxylic acids |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstertiary alcoholstetralins |
|---|
| Substituents | alcoholtetralincarbonyl groupcarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativebeta-hydroxy acidtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivative2-naphthalenecarboxylic acidorganooxygen compound1,2-diol |
|---|
