| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:06 UTC |
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| Update Date | 2025-03-25 00:47:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160404 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18N2O8 |
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| Molecular Mass | 354.1063 |
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| SMILES | Nc1ccc(O)cc1C(=O)CC(NC(CCC(=O)O)C(=O)O)C(=O)O |
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| InChI Key | VDZPDDYBRFFOBW-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 | amino acids, peptides, and analogues |
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| Direct Parent | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl-phenylketonesalpha amino acidsamino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsdialkylaminesgamma-keto acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminestricarboxylic acids and derivativesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketoneamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidesecondary aliphatic amineglutamic acid or derivativessecondary aminephenylketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundorganic oxygen compoundketo acidphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketoneorganooxygen compoundaryl ketone |
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