| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:23 UTC |
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| Update Date | 2025-03-25 00:55:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213841 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11IO2 |
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| Molecular Mass | 289.9804 |
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| SMILES | CCCOC(=O)c1ccc(I)cc1 |
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| InChI Key | VOEYTTFPVLPCKU-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 4-halobenzoic acids and derivativesaryl iodidesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganooxygen compounds |
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| Substituents | benzoylbenzoate esterhalobenzoic acid or derivativescarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidearyl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativearyl iodidehalobenzeneorganooxygen compound |
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