| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:11 UTC |
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| Update Date | 2025-03-25 00:50:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181247 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO8 |
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| Molecular Mass | 263.0641 |
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| SMILES | O=C(O)CN=C(O)CC1OC(O)(C(=O)O)CC1O |
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| InChI Key | PPVYNZKPOAZDDA-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 heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | carboximidic acidcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidepropargyl-type 1,3-dipolar organic compoundsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalorganoheterocyclic compoundalcoholtetrahydrofuranorganic 1,3-dipolar compoundhydroxy acidoxacycleorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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