| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:52 UTC |
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| Update Date | 2025-03-21 18:01:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031041 |
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| Frequency | 119.2 |
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| Structure | |
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| Chemical Formula | C9H6O4 |
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| Molecular Mass | 178.0266 |
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| SMILES | O=C(O)C(=O)C(=O)c1ccccc1 |
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| InChI Key | QJJOYFHFRQZRGA-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-diketonesalpha-hydroxy ketonesalpha-keto acids and derivativesaryl ketonesbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanoic acids |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidphenylpyruvate3-phenylpropanoic-acidbenzoylalpha-hydroxy ketonecarboxylic acid derivativealpha-diketonebeta-keto acidketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalpha-keto acidhydrocarbon derivativeorganooxygen compoundaryl ketone |
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