| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:44 UTC |
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| Update Date | 2025-03-25 00:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237227 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H8O7 |
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| Molecular Mass | 252.027 |
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| SMILES | O=C(O)C(=O)Cc1ccc(OC(=O)C(=O)O)cc1 |
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| InChI Key | WAHVWDVFZFIJGC-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 derivativescarboxylic acid esterscarboxylic acidshydrocarbon derivativesorganic oxidesphenol estersphenoxy compoundsphenoxyacetic acid derivativesphenylpropanoic acidstricarboxylic acids and derivatives |
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| Substituents | phenoxyacetatecarbonyl groupcarboxylic acidphenylpyruvate3-phenylpropanoic-acidtricarboxylic acid or derivativesalpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundketo acidcarboxylic acid esterphenol esteralpha-keto acidhydrocarbon derivativephenoxy compoundorganooxygen compound |
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