| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:54 UTC |
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| Update Date | 2025-03-25 00:59:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237620 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H6INO3 |
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| Molecular Mass | 278.9392 |
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| SMILES | Nc1cc(I)c(O)cc1C(=O)O |
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| InChI Key | LZFXTGZEGBVELE-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 | hydroxybenzoic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids4-halobenzoic acidsamino acidsaryl iodidesbenzoic acidsbenzoyl derivativeshalobenzoic acidshalophenolshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesorganooxygen compoundsorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | carboxylic acidamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidvinylogous amidehalobenzoic acid4-halobenzoic acid2-iodophenolhalobenzoic acid or derivativesaryl halidehydroxybenzoic acid4-halobenzoic acid or derivativesaromatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativearyl iodideprimary amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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