| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:36 UTC |
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| Update Date | 2025-03-21 18:05:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056470 |
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| Frequency | 56.4 |
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| Structure | |
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| Chemical Formula | C9H13NO10 |
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| Molecular Mass | 295.0539 |
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| SMILES | NC(C(=O)O)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | YYIPWTGOBLRPIP-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 acyl ester of carbohydrates |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsacetalsalpha amino acidsbeta hydroxy acids and derivativescarboxylic acid esterscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonoalkylaminesmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidetricarboxylic acid or derivativespyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacycleorganic oxygen compoundpyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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