| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:22 UTC |
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| Update Date | 2025-03-25 00:47:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160992 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO7 |
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| Molecular Mass | 235.0692 |
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| SMILES | NC1(C(=O)O)CC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | YIDFTNJXBAGVDQ-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 amino acidsalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidalpha-amino acid or derivativescarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcyclohexanolhydroxy acidtertiary alcoholsecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundquinic acid |
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