| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:56 UTC |
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| Update Date | 2025-03-21 18:02:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038418 |
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| Frequency | 91.1 |
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| Structure | |
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| Chemical Formula | C8H13NO4 |
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| Molecular Mass | 187.0845 |
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| SMILES | NC(CCC1CCC(=O)O1)C(=O)O |
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| InChI Key | WLIBSEWUPGAETQ-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 acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactonesheterocyclic fatty acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsshort-chain hydroxy acids and derivativestetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidfatty acidlactoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundtetrahydrofurangamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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