| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:41 UTC |
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| Update Date | 2025-03-21 18:35:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104684 |
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| Frequency | 25.9 |
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| Structure | |
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| Chemical Formula | C13H22N2O7 |
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| Molecular Mass | 318.1427 |
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| SMILES | CC(=O)NC1C(O)C(O)C(CO)OC1N1CCCC1C(=O)O |
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| InChI Key | NGXLQPOGESFKBS-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 | proline and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshemiaminalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrrolidine carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidmonosaccharidehemiaminalsaccharideorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxanepyrrolidineprimary alcoholorganoheterocyclic compoundacetamideproline or derivativesalcoholazacyclen-alkylpyrrolidinecarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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