| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:22 UTC |
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| Update Date | 2025-03-21 18:06:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065390 |
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| Frequency | 46.8 |
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| Structure | |
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| Chemical Formula | C9H9BrO2 |
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| Molecular Mass | 227.9786 |
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| SMILES | O=C(O)CCc1ccc(Br)cc1 |
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| InChI Key | NCSTWHYWOVZDOC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl bromidesbromobenzenescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidbromobenzenecarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativebenzenoidhalobenzenearyl bromideorganooxygen compound |
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