| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:26 UTC |
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| Update Date | 2025-03-21 18:34:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099123 |
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| Frequency | 44.1 |
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| Structure | |
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| Chemical Formula | C15H21IN2O4 |
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| Molecular Mass | 420.0546 |
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| SMILES | CC(C)CC(N=C(O)C(N)Cc1ccc(O)c(I)c1)C(=O)O |
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| InChI Key | WYERAYPQSNZFHS-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 | leucine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboximidic acidscarboxylic acidshalophenolshydrocarbon derivativesiodobenzenesmonoalkylaminesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodidepropargyl-type 1,3-dipolar organic compoundorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivatives2-iodophenolorganic 1,3-dipolar compoundaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzeneorganooxygen compound |
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