| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:19 UTC |
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| Update Date | 2025-03-21 18:06:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065302 |
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| Frequency | 46.9 |
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| Structure | |
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| Chemical Formula | C9H9BrO3 |
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| Molecular Mass | 243.9735 |
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| SMILES | COc1ccc(CC(=O)O)cc1Br |
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| InChI Key | POTVGQUUEQTPNA-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl bromidesbromobenzenescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganobromidesphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidbromobenzenealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundmethoxybenzenearyl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisoleorganobromidehydrocarbon derivativehalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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