| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:40 UTC |
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| Update Date | 2025-03-21 17:58:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016819 |
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| Frequency | 253.0 |
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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)OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O |
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| InChI Key | BMHQFSNEBHBVNK-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 | acetalsalpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estersglucuronic acid derivativeshydrocarbon derivativesmonoalkylaminesmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl 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 acidoxacyclefatty acid esterorganic oxygen compoundpyrancarboxylic acid esteraspartic acid or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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