| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:07 UTC |
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| Update Date | 2025-03-25 00:50:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181093 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O7 |
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| Molecular Mass | 280.0583 |
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| SMILES | O=C(O)CC(C(=O)O)c1ccc(CC(=O)C(=O)O)cc1 |
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| InChI Key | YURPPVCPBYYJKM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylpyruvic acid derivatives |
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| Direct Parent | phenylpyruvic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesaromatic monoterpenoidscarboxylic acidshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanoic acidstricarboxylic acids and derivatives |
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| Substituents | monoterpenoidcarbonyl groupmonocyclic monoterpenoidcarboxylic acidphenylpyruvate3-phenylpropanoic-acidtricarboxylic acid or derivativesp-cymenealpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundketo acidalpha-keto acidhydrocarbon derivativeorganooxygen compoundaromatic monoterpenoid |
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