| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:39 UTC |
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| Update Date | 2025-03-25 00:47:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161644 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO5 |
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| Molecular Mass | 203.0794 |
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| SMILES | NCC1(O)C=CC(O)(C(=O)O)C(O)C1 |
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| InChI Key | ANSAQZNOPCNEEZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidalpha-hydroxy acidcyclitol or derivativescarboxylic acid derivativebeta-hydroxy acidtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundsecondary alcoholaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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