| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:33 UTC |
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| Update Date | 2025-03-25 01:01:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252908 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8Br2O4 |
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| Molecular Mass | 337.8789 |
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| SMILES | O=C(O)C(O)COc1ccc(Br)cc1Br |
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| InChI Key | WAYPKZQEGVOGQZ-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 | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha hydroxy acids and derivativesaryl bromidesbromobenzenescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganobromidesphenoxy compoundssecondary alcoholssugar acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acidmonosaccharidealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundsaccharideorganic oxideglyceric_acidalcoholbromobenzenehydroxy acidaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholorganobromidehydrocarbon derivativehalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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