| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:40 UTC |
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| Update Date | 2025-03-21 18:40:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131035 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C12H21NO8 |
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| Molecular Mass | 307.1267 |
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| SMILES | CC(C)CC(N)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | WYJURJFPNVSDHD-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 | acetalsalpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersglucuronic acid derivativeshydrocarbon derivativesleucine and derivativesmonoalkylaminesmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalleucine or derivativesaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclefatty acid esterorganic oxygen compoundpyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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