| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:37 UTC |
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| Update Date | 2025-03-21 18:33:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097133 |
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| Frequency | 48.5 |
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| Structure | |
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| Chemical Formula | C11H15N3O4 |
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| Molecular Mass | 253.1063 |
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| SMILES | O=C(O)C1CCCN1C(Cc1c[nH]cn1)C(=O)O |
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| InChI Key | MBQVWDHYFIFWLD-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acidstrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganic oxideimidazolepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundazoleproline or derivativesazacyclen-alkylpyrrolidineheteroaromatic compoundtertiary aliphatic aminepyrrolidine carboxylic acid or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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