| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:01 UTC |
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| Update Date | 2025-03-25 00:47:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162459 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO12 |
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| Molecular Mass | 367.0751 |
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| SMILES | O=C(O)CC(C(=O)O)N(CC(=O)O)C1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | KHGSUWCLMOZOLR-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 acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshemiaminalshydrocarbon derivativesmonosaccharidesn-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstetracarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativesmonosaccharidepyran carboxylic acidn-glucuronidehemiaminalbeta-hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetracarboxylic acid or derivativeshydroxy acidoxacycleorganic oxygen compoundpyranaspartic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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