| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:59 UTC |
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| Update Date | 2025-03-21 18:40:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129416 |
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| Frequency | 25.3 |
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| Structure | |
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| Chemical Formula | C11H11NO5 |
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| Molecular Mass | 237.0637 |
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| SMILES | O=C(O)CNC(=O)CCC1=CC(=O)C(=O)C=C1 |
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| InChI Key | XGAYTRZYHPXXIB-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 acidscarboxylic acidsfatty amideshydrocarbon derivativesmonocarboxylic acids and derivativeso-benzoquinonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsquinonessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidfatty amidecyclic ketoneketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundo-benzoquinonecarboxamide groupn-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic homomonocyclic compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundquinone |
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