| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:01 UTC |
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| Update Date | 2025-03-25 00:57:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226647 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O5 |
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| Molecular Mass | 238.0841 |
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| SMILES | CC(O)C(O)c1ccc(CC(=O)C(=O)O)cc1 |
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| InChI Key | FQMMWAXYFWNDIY-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 | 1,2-diolsalpha-hydroxy ketonesalpha-keto acids and derivativesaromatic alcoholscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanesphenylpropanoic acidssecondary alcohols |
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| Substituents | aromatic alcoholalcoholcarbonyl groupcarboxylic acidphenylpyruvate3-phenylpropanoic-acidalpha-hydroxy ketonecarboxylic acid derivativeketonephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalpha-keto acidsecondary alcoholhydrocarbon derivativeorganooxygen compound1,2-diol |
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