| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:44:23 UTC |
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| Update Date | 2025-03-24 22:12:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02025073 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C5H7NO3 |
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| Molecular Mass | 129.0426 |
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| SMILES | CCOC(=O)C(O)C#N |
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| InChI Key | IYPJQABCLBFGTB-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 | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | carboxylic acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxynitrilescarbonyl compoundscyanohydrinshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupnitrilecyanohydrinorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralpha-hydroxynitrileorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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