| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:25 UTC |
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| Update Date | 2025-03-21 18:31:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084726 |
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| Frequency | 33.8 |
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| Structure | |
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| Chemical Formula | C8H7IO4 |
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| Molecular Mass | 293.9389 |
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| SMILES | COc1cc(C(=O)O)cc(I)c1O |
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| InChI Key | HAOSLIWMPLNZEB-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 | m-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 3-halobenzoic acidsalkyl aryl ethersanisolesaryl iodidesbenzoic acidsbenzoyl derivativescarboxylic acidshalobenzoic acidshalophenolshydrocarbon derivativeshydroxybenzoic acid derivativesiodobenzenesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesphenoxy compounds |
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| Substituents | phenol etherethercarboxylic acid3-halobenzoic acid or derivativesbenzoylmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxide3-halobenzoic acidbenzoic acidm-methoxybenzoic acid or derivativeshalobenzoic acid2-iodophenolhalobenzoic acid or derivativesmethoxybenzenearyl halidehydroxybenzoic acidaromatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativearyl iodidehalobenzenephenoxy compoundorganooxygen compound |
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