| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:13 UTC |
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| Update Date | 2025-03-21 18:01:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034234 |
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| Frequency | 105.2 |
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| Structure | |
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| Chemical Formula | C9H15NO6 |
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| Molecular Mass | 233.0899 |
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| SMILES | CC(=O)NC1CC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | LJLCVFMLGYTBBB-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 | acetamidesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolsgamma amino acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidgamma amino acid or derivativesalpha-hydroxy acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidecyclohexanolhydroxy acidcarboxamide groupsecondary carboxylic acid amidetertiary alcoholmonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganic nitrogen compoundquinic acid |
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