| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:01 UTC |
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| Update Date | 2025-03-25 00:59:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240137 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22IN3O4 |
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| Molecular Mass | 435.0655 |
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| SMILES | NC(CCCCNC(=O)C(N)Cc1ccc(O)c(I)c1)C(=O)O |
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| InChI Key | UZWRMCMSMJMQLX-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsamphetamines and derivativesaryl iodidescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsfatty amideshalogenated fatty acidshalophenolshydrocarbon derivativeshydroxy fatty acidsiodobenzenesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amide1-hydroxy-2-unsubstituted benzenoidfatty acidorganohalogen compoundiodobenzenemedium-chain hydroxy acidorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidamphetamine or derivativeshalogenated fatty acidtyrosine or derivativesalpha-amino acid amide2-iodophenolcarboxamide grouparyl halidearomatic homomonocyclic compound2-halophenolsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzeneorganooxygen compound |
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