| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:39 UTC |
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| Update Date | 2025-03-25 00:50:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182292 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12N2O4 |
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| Molecular Mass | 188.0797 |
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| SMILES | O=C(O)C1CCCN1CC[N+](=O)[O-] |
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| InChI Key | QEBKWGYVQJGGHG-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsc-nitro compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolidine carboxylic acidstrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidallyl-type 1,3-dipolar organic compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundpyrrolidine carboxylic acidaliphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumpyrrolidinetertiary amineorganoheterocyclic compoundproline or derivativesazacyclen-alkylpyrrolidinetertiary aliphatic amineorganic 1,3-dipolar compoundmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundorganic hyponitrite |
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