| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:02 UTC |
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| Update Date | 2025-03-25 00:59:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237919 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11BrO3 |
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| Molecular Mass | 257.9892 |
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| SMILES | O=C(O)CC(O)Cc1ccc(Br)cc1 |
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| InChI Key | LYIOYRFIZYYLIC-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 | halobenzenes |
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| Direct Parent | bromobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl bromidesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidessecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidbromobenzenehydroxy acidcarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholorganobromidehydrocarbon derivativearyl bromideorganooxygen compound |
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