| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:41 UTC |
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| Update Date | 2025-03-25 00:46:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155096 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19NO3 |
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| Molecular Mass | 249.1365 |
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| SMILES | Cc1ccc(C)c(C(C)C)c1C(O)=NCC(=O)O |
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| InChI Key | IAAXDWMEGLZXOW-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 | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboximidic acidscarboxylic acidscumeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanespropargyl-type 1,3-dipolar organic compoundsp-xylenes |
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| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundphenylpropanearomatic homomonocyclic compoundxyleneorganic oxidemonocarboxylic acid or derivativesp-xyleneorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundcumenehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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