| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:35 UTC |
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| Update Date | 2025-03-25 00:51:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184330 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12INO4 |
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| Molecular Mass | 348.9811 |
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| SMILES | NC(Cc1ccc(O)c(I)c1)C(=O)CC(=O)O |
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| InChI Key | USCBOTPGROXLHX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenethylamines |
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| Direct Parent | amphetamines and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl iodidesbeta-hydroxy ketonesbeta-keto acids and derivativescarbocyclic fatty acidscarboxylic acidsfatty acylshalogenated fatty acidshalophenolshydrocarbon derivativeshydroxy fatty acidsiodobenzenesmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidcarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundiodobenzenebeta-keto acidorganoiodideketoneorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidamphetamine or derivativeshalogenated fatty acid2-iodophenolaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzeneorganooxygen compoundmedium-chain keto acid |
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