| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:07:11 UTC |
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| Update Date | 2025-03-24 21:55:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01936491 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H11NO3 |
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| Molecular Mass | 145.0739 |
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| SMILES | CC1(O)CC(CN)OC1=O |
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| InChI Key | YBQFGBZWENVLGU-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundstertiary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl grouptetrahydrofurangamma butyrolactonelactoneoxacycletertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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