| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:05:17 UTC |
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| Update Date | 2025-03-21 23:07:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00639776 |
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| Frequency | 2.5 |
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| Structure | |
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| Chemical Formula | C6H9NO3 |
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| Molecular Mass | 143.0582 |
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| SMILES | NC1C=CC(CO)OC1=O |
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| InChI Key | CBCQHYADQQQKQP-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 | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acid estersdihydropyranoneshydrocarbon derivativeslactonesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcohols |
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| Substituents | carbonyl groupdihydropyranonelactoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundpyranonealpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholalpha-amino acid esteroxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrancarboxylic acid esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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