| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:32 UTC |
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| Update Date | 2025-03-25 00:54:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207035 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6N2O4 |
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| Molecular Mass | 170.0328 |
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| SMILES | O=C(O)C1CC(=O)C2NC(=O)N12 |
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| InChI Key | QEGGQBCJDAMYRA-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-diazepanesazacyclic compoundscarboxylic acidsdiazetidineshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxoprolinespyrrolidine carboxylic acidspyrrolidine-3-ones |
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| Substituents | carbonyl groupcarboxylic acid3-pyrrolidonediazepaneketonealiphatic heteropolycyclic compoundorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compound1,3-diazetidine1,3-diazepanecarbonic acid derivativeoxoprolineazacyclemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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