| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:17 UTC |
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| Update Date | 2025-03-21 18:35:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103675 |
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| Frequency | 26.2 |
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| Structure | |
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| Chemical Formula | C8H13NO6 |
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| Molecular Mass | 219.0743 |
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| SMILES | NC1C(O)CC(O)(C(=O)O)CC1C(=O)O |
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| InChI Key | PFDYEZNIVLKGIM-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 derivativesbeta amino acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativescyclohexanolsdelta amino acids and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanolhydroxy acidcarboxylic acid derivativebeta amino acid or derivativestertiary alcoholorganic oxideorganonitrogen compoundsecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativesorganopnictogen compounddelta amino acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundquinic acid |
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