| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:04 UTC |
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| Update Date | 2025-03-21 18:29:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076707 |
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| Frequency | 71.4 |
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| Structure | |
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| Chemical Formula | C7H9NO6 |
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| Molecular Mass | 203.043 |
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| SMILES | O=C(O)CN=C(O)CC(=O)CC(=O)O |
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| InChI Key | ZFVVJDNQYLRCNZ-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 acyclic compounds |
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| Alternative Parents | beta-hydroxy ketonesbeta-keto acids and derivativescarboximidic acidscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain keto acids and derivatives |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidshort-chain keto acidorganic 1,3-dipolar compoundbeta-keto acidpropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganic oxygen compoundketo acidorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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