| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:27 UTC |
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| Update Date | 2025-03-25 00:59:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238837 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N2O3 |
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| Molecular Mass | 222.1004 |
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| SMILES | NC(=O)CC(NCc1ccccc1)C(=O)O |
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| InChI Key | IYPFHQCBXITDFG-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 | asparagine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylaminesfatty amideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidfatty amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativessecondary aliphatic aminesecondary aminecarboxamide grouparomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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