| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:56 UTC |
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| Update Date | 2025-03-21 18:02:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040740 |
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| Frequency | 84.7 |
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| Structure | |
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| Chemical Formula | C11H19NO5 |
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| Molecular Mass | 245.1263 |
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| SMILES | CCC(C)C(NC(=O)OC1CCOC1)C(=O)O |
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| InChI Key | RMWPHWPJMAATGP-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 | isoleucine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbamate esterscarbonyl compoundscarboxylic acidsdialkyl ethersheterocyclic fatty acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsshort-chain hydroxy acids and derivativestetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidfatty aciddialkyl etherorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesorganoheterocyclic compoundcarbonic acid derivativemethyl-branched fatty acidtetrahydrofurancarbamic acid esterbranched fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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