| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:44 UTC |
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| Update Date | 2025-03-21 18:06:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066295 |
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| Frequency | 46.1 |
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| Structure | |
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| Chemical Formula | C11H12N2O5 |
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| Molecular Mass | 252.0746 |
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| SMILES | NC(CC1=CC(=O)C(=O)C=C1)C(=O)NCC(=O)O |
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| InChI Key | INMZFSGTMFGPRM-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 | acyl glycines |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarboxylic acidsdipeptidesfatty amideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativeso-benzoquinonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsquinonessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidfatty amidecyclic ketonealpha peptideketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-amino acid amideo-benzoquinonecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic homomonocyclic compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundquinone |
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