| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:48 UTC |
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| Update Date | 2025-03-21 18:06:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061760 |
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| Frequency | 50.4 |
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| Structure | |
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| Chemical Formula | C10H15NO7 |
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| Molecular Mass | 261.0849 |
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| SMILES | CC(=O)NC1C(O)CC(O)(C(=O)O)CC1C(=O)O |
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| InChI Key | FIYMRMCCVNOQNW-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 acidscyclic alcohols and derivativescyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanolhydroxy acidcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amidetertiary alcoholorganic oxideorganonitrogen compoundsecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamidequinic acid |
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