| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:15 UTC |
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| Update Date | 2025-03-25 00:58:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231553 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13BrO2 |
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| Molecular Mass | 268.0099 |
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| SMILES | CC=C(CCC(=O)O)c1ccc(Br)cc1 |
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| InChI Key | JRMZRPXKDCRSBW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl bromidesbromobenzenescarbonyl compoundscarboxylic acidsfatty acylshalogenated fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganobromides |
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| Substituents | halogenated fatty acidcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidbromobenzenecarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativemedium-chain fatty acidbenzenoidhalobenzenearyl bromideorganooxygen compound |
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