| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:27 UTC |
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| Update Date | 2025-03-21 18:36:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111459 |
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| Frequency | 23.9 |
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| Structure | |
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| Chemical Formula | C14H21NO11 |
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| Molecular Mass | 379.1115 |
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| SMILES | CC(OC1C(O)C(C(=O)O)CC(O)C1NC(=O)CC(O)C(=O)O)C(=O)O |
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| InChI Key | BJTBDOIYSLMVRQ-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdialkyl ethershydrocarbon derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acidalpha-hydroxy acidfatty amidetricarboxylic acid or derivativesdialkyl etherbeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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