| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:44 UTC |
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| Update Date | 2025-03-25 00:54:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205217 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12N2O7 |
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| Molecular Mass | 236.0645 |
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| SMILES | NC1C(O)CC(O)(C(=O)O)OC1CON=O |
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| InChI Key | VGIGGMMAFOJXSD-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl nitritesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesnitrite estersorganic o-nitroso compoundsorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidpyran carboxylic acidalkyl nitriteorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaldelta amino acid or derivativesnitrite esteroxaneorganoheterocyclic compoundalcoholorganic nitroso compoundpyran carboxylic acid or derivativeshydroxy acidorganic nitriteoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundorganic o-nitroso compound |
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