| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:28 UTC |
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| Update Date | 2025-03-21 18:03:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044493 |
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| Frequency | 76.0 |
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| Structure | |
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| Chemical Formula | C9H13NO7 |
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| Molecular Mass | 247.0692 |
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| SMILES | O=C(O)CC(NC(=O)OC1CCOC1)C(=O)O |
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| InChI Key | HPQTWCLDMGHOSM-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbamate esterscarbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsshort-chain hydroxy acids and derivativestetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidfatty aciddialkyl etherorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundcarbonic acid derivativetetrahydrofurancarbamic acid esteroxacycleorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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