| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:44 UTC |
|---|
| Update Date | 2025-03-25 00:59:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02237225 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H18O10 |
|---|
| Molecular Mass | 358.09 |
|---|
| SMILES | O=C(O)C(=O)Cc1cc(O)cc(O)c1C1OC(CO)C(O)C(O)C1O |
|---|
| InChI Key | MOJVSQSTDOBFEN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylpyruvic acid derivatives |
|---|
| Direct Parent | phenylpyruvic acid derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenylpropanoic acidsprimary alcoholsresorcinolssecondary alcohols |
|---|
| Substituents | carbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativedialkyl etherresorcinolketonesaccharideorganic oxidealpha-keto acidoxaneprimary alcoholorganoheterocyclic compoundalcoholphenylpyruvate1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundketo acidsecondary alcoholphenolhydrocarbon derivativeorganooxygen compound |
|---|
