| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:16 UTC |
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| Update Date | 2025-03-25 00:49:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176845 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O6 |
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| Molecular Mass | 266.079 |
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| SMILES | O=C(O)CCCOc1cccc(CC(=O)C(=O)O)c1 |
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| InChI Key | HJIIXDLXWVYONT-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 | alkyl aryl ethersalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenol ethersphenoxy compoundsphenylpropanoic acids |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidphenylpyruvate3-phenylpropanoic-acidalkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundketo acidalpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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