| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:11 UTC |
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| Update Date | 2025-03-25 00:54:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206217 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H24N2O7 |
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| Molecular Mass | 380.1584 |
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| SMILES | NC(CCCc1c(CCC(N)C(=O)O)cccc1CC(=O)C(=O)O)C(=O)O |
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| InChI Key | JRZGUXLPKSBNLE-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 amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylbutylaminesphenylpropanoic acidstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acid3-phenylpropanoic-acidtricarboxylic acid or derivativesalpha-amino acid or derivativesalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidephenylbutylamineorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundphenylpyruvatearomatic homomonocyclic compoundorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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