| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:47 UTC |
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| Update Date | 2025-03-21 18:02:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040398 |
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| Frequency | 85.6 |
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| Structure | |
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| Chemical Formula | C9H7ClO2 |
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| Molecular Mass | 182.0135 |
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| SMILES | O=C(O)C=Cc1cccc(Cl)c1 |
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| InChI Key | FFKGOJWPSXRALK-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 chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
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| Substituents | aryl chloridechlorobenzenemonocyclic benzene moietycarbonyl groupcarboxylic acidorganochloridecarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
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