| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:13 UTC |
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| Update Date | 2025-03-21 18:03:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043883 |
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| Frequency | 77.3 |
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| Structure | |
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| Chemical Formula | C7H13NO5 |
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| Molecular Mass | 191.0794 |
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| SMILES | NC1CC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | PUONUMSZEJGUHG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolsgamma amino acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidgamma amino acid or derivativesalpha-hydroxy acidcyclohexanolhydroxy acidcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganonitrogen compoundsecondary alcoholaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundquinic acid |
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