| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:37 UTC |
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| Update Date | 2025-03-25 00:48:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170702 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9IO2 |
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| Molecular Mass | 275.9647 |
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| SMILES | COC(=O)Cc1cccc(I)c1 |
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| InChI Key | ZIQWLOIJBIJDTM-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 | halobenzenes |
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| Direct Parent | iodobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl iodidescarbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganoiodides |
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| Substituents | carbonyl groupcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativearyl iodideorganooxygen compound |
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