| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:08 UTC |
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| Update Date | 2025-03-25 00:47:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160468 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H6BrNO3 |
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| Molecular Mass | 230.9531 |
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| SMILES | Nc1cc(Br)c(O)c(C(=O)O)c1 |
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| InChI Key | MKLFPGIAAXLPRB-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 | salicylic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds3-halobenzoic acidsamino acidsaryl bromidesbenzoic acidsbenzoyl derivativesbromobenzeneshalobenzoic acidshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativeso-bromophenolsorganic oxidesorganobromidesorganooxygen compoundsorganopnictogen compoundsprimary aminesvinylogous acids |
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| Substituents | carboxylic acidamino acid or derivativesamino acid3-halobenzoic acid or derivativesbenzoylsalicylic acidcarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acidorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acid2-bromophenolhalobenzoic acidbromobenzenehalobenzoic acid or derivativesaryl halidearomatic homomonocyclic compound2-halophenolvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundorganobromidephenolhydrocarbon derivativeprimary amineorganic nitrogen compoundhalobenzenearyl bromideamineorganooxygen compound |
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