| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:40 UTC |
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| Update Date | 2025-03-25 00:48:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170826 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7IO3 |
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| Molecular Mass | 277.944 |
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| SMILES | COC(=O)c1ccc(O)cc1I |
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| InChI Key | IAXXBQMPSUDNKT-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 | p-hydroxybenzoic acid alkyl esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halobenzoic acids and derivativesaryl iodidesbenzoyl derivativeshalophenolshydrocarbon derivativesiodobenzenesm-iodophenolsmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganooxygen compoundsvinylogous halides |
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| Substituents | benzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxidemethyl ester3-halophenolhalobenzoic acid or derivativesvinylogous halidep-hydroxybenzoic acid alkyl ester2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativearyl iodidehalobenzene3-iodophenolorganooxygen compound |
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