| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:07 UTC |
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| Update Date | 2025-03-21 18:32:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088691 |
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| Frequency | 31.9 |
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| Structure | |
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| Chemical Formula | C10H9IO4 |
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| Molecular Mass | 319.9546 |
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| SMILES | COc1cc(C=CC(=O)O)cc(I)c1O |
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| InChI Key | JQIZBHHUQWUZTA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl iodidescarbonyl compoundscarboxylic acidshalophenolshydrocarbon derivativesiodobenzenesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxide2-iodophenolmethoxybenzenehydroxycinnamic acidaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidaryl iodidehalobenzenephenoxy compoundorganooxygen compound |
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