| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:44 UTC |
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| Update Date | 2025-03-25 00:46:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157407 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13IO3 |
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| Molecular Mass | 319.9909 |
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| SMILES | O=C(O)CCCCc1ccc(O)c(I)c1 |
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| InChI Key | SIBIENPAQVDSQI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl iodidescarbonyl compoundscarboxylic acidshalogenated fatty acidshalophenolshydrocarbon derivativeshydroxy fatty acidsiodobenzenesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodides |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundiodobenzenemedium-chain hydroxy acidorganoiodideorganic oxidemedium-chain fatty acidhydroxy fatty acidhalogenated fatty acid2-iodophenolaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidaryl iodidehalobenzeneorganooxygen compound |
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