| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:56 UTC |
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| Update Date | 2025-03-25 00:49:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176063 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22NO9+ |
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| Molecular Mass | 324.1289 |
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| SMILES | C[N+]1(C2OC(CO)C(O)C(O)C2O)CC(O)C(O)C1C(=O)O |
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| InChI Key | GJXZXLXHVQQLBI-UHFFFAOYSA-O |
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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 | alpha amino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiaminalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-alkylpyrrolidinesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrrolidine carboxylic acidssecondary alcoholstetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidmonosaccharidehemiaminalbeta-hydroxy acidsaccharideorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationoxaneorganic saltpyrrolidineprimary alcoholorganoheterocyclic compoundproline or derivativesalcoholtetraalkylammonium saltazacyclen-alkylpyrrolidinehydroxy acidoxacyclemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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