| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:31 UTC |
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| Update Date | 2025-03-21 18:32:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089578 |
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| Frequency | 31.5 |
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| Structure | |
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| Chemical Formula | C9H7BrO3 |
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| Molecular Mass | 241.9579 |
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| SMILES | O=C(O)C=Cc1ccc(O)c(Br)c1 |
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| InChI Key | HOZXBZABAJSGDX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl bromidesbromobenzenescarbonyl compoundscarboxylic acidshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativeso-bromophenolsorganic oxidesorganobromides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundorganic oxide2-bromophenolbromobenzenehydroxycinnamic acidaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundorganobromidephenolhydrocarbon derivativebenzenoidhalobenzenearyl bromideorganooxygen compound |
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