| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:15 UTC |
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| Update Date | 2025-03-21 18:36:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113367 |
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| Frequency | 23.4 |
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| Structure | |
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| Chemical Formula | C10H15NO10 |
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| Molecular Mass | 309.0696 |
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| SMILES | NC(CC(=O)OC1C(C(=O)O)OC(O)C(O)C1O)C(=O)O |
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| InChI Key | IXIKFBMLDDYAAS-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 | 1,2-diolsalpha amino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estersglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidglucuronic acid or derivativesmonosaccharidetricarboxylic acid or derivativespyran carboxylic acidsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesoxacyclefatty acid esterorganic oxygen compoundpyrancarboxylic acid esteraspartic acid or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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