| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:00 UTC |
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| Update Date | 2025-03-21 17:59:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019769 |
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| Frequency | 206.1 |
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| Structure | |
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| Chemical Formula | C9H7BrO2 |
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| Molecular Mass | 225.9629 |
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| SMILES | O=C(O)C=Cc1ccc(Br)cc1 |
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| InChI Key | CPDDDTNAMBSPRN-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 | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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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 acidbromobenzenecarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativebenzenoidhalobenzenearyl bromideorganooxygen compound |
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