| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:01 UTC |
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| Update Date | 2025-03-25 00:45:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148814 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H31N3O10 |
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| Molecular Mass | 497.2009 |
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| SMILES | NC(CCCc1c(CCC(N)C(=O)O)cc(CC(O)C(=O)O)cc1C(=O)CC(N)C(=O)O)C(=O)O |
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| InChI Key | GUMZDNDSFWTEMS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl-phenylketonesalpha amino acidsalpha hydroxy acids and derivativesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylbutylaminesphenylpropanoic acidssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidalpha-hydroxy acidbenzoylalpha-amino acid or derivativesketoneorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholtetracarboxylic acid or derivativeshydroxy acidphenylketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundorganic oxygen compoundketo acidsecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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