| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:55 UTC |
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| Update Date | 2025-03-21 17:59:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024107 |
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| Frequency | 162.1 |
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| Structure | |
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| Chemical Formula | C8H6Br2O3 |
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| Molecular Mass | 307.8684 |
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| SMILES | O=C(O)COc1ccc(Br)cc1Br |
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| InChI Key | LIIAWXHMVYLFGT-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 | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl bromidesbromobenzenescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesphenol ethersphenoxy compounds |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidbromobenzenealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativehalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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