| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:46 UTC |
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| Update Date | 2025-03-25 00:57:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223935 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9N3O5 |
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| Molecular Mass | 239.0542 |
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| SMILES | NC(=O)c1cc(C(=O)CC(=O)C(=O)O)c(N)[nH]1 |
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| InChI Key | UWAJJSONNZOABO-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 | keto acids and derivatives |
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| Subclass | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsaryl alkyl ketonesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminesprimary carboxylic acid amidespyrrole carboxamidesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundamino acid or derivativesamino acidalpha-hydroxy ketonecarboxylic acid derivative2-heteroaryl carboxamideketoneorganic oxidepyrrole-2-carboxylic acid or derivativesorganonitrogen compoundalpha-keto acidorganopnictogen compoundpyrrole-2-carboxamideorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundcarboxamide groupgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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