| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:57 UTC |
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| Update Date | 2025-03-25 00:46:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153352 |
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| Frequency | 0.5 |
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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 | COc1ccc(O)c(I)c1C(=O)O |
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| InChI Key | SJVNNXCKRTZJQP-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 | o-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids2-halobenzoic acids4-alkoxyphenolsalkyl aryl ethersanisolesaryl iodidesbenzoic acidsbenzoyl derivativeshalobenzoic acidshalophenolshydrocarbon derivativeshydroxybenzoic acid derivativesiodobenzenesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesphenoxy compoundsvinylogous halides |
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| Substituents | phenol ether2-halobenzoic acidethercarboxylic acidbenzoylmethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxideo-methoxybenzoic acid or derivatives1-carboxy-2-haloaromatic compoundbenzoic acidhalobenzoic acid4-alkoxyphenol2-iodophenolhalobenzoic acid or derivativesmethoxybenzenevinylogous halide2-halobenzoic acid or derivativesaryl halidehydroxybenzoic acidaromatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativearyl iodidehalobenzenephenoxy compoundorganooxygen compound |
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