| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:54 UTC |
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| Update Date | 2025-03-25 01:01:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246928 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O4 |
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| Molecular Mass | 220.0736 |
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| SMILES | CCC(=O)c1ccc(CC(=O)C(=O)O)cc1 |
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| InChI Key | GPFJNDDNMSSOBR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesaryl alkyl ketonesbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanesphenylpropanoic acidsphenylpyruvic acid derivatives |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonephenylpyruvate3-phenylpropanoic-acidbenzoylalpha-hydroxy ketonecarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesketo acidalpha-keto acidhydrocarbon derivativebenzenoidalkyl-phenylketone |
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