| 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 | DMID02182295 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N2O6 |
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| Molecular Mass | 280.0695 |
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| SMILES | O=C(O)C1CCCN1C(=O)Oc1ccc([N+](=O)[O-])cc1 |
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| InChI Key | RQZRZSYFJCSDQG-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 acidsazacyclic compoundscarbamate esterscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic carbonic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundspyrrolidine carboxylic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundallyl-type 1,3-dipolar organic compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundpyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumpyrrolidineorganoheterocyclic compoundnitrobenzenenitroaromatic compoundproline or derivativescarbonic acid derivativeazacyclecarbamic acid esterorganic 1,3-dipolar compoundmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundorganic hyponitrite |
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