| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:50 UTC |
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| Update Date | 2025-03-21 18:06:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061835 |
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| Frequency | 50.3 |
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| Structure | |
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| Chemical Formula | C14H19NO4 |
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| Molecular Mass | 265.1314 |
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| SMILES | CCC(C)C(NC(=O)OCc1ccccc1)C(=O)O |
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| InChI Key | JSHXJPFZKBRLFU-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 | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzyloxycarbonylscarbamate esterscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | benzyloxycarbonylmonocyclic benzene moietycarbonyl groupcarbonic acid derivativecarboxylic acidcarbamic acid esteraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundisoleucine or derivativesorganooxygen compound |
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