| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:02 UTC |
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| Update Date | 2025-03-25 00:51:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185387 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8ClNO |
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| Molecular Mass | 181.0294 |
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| SMILES | NC(=O)C=Cc1ccccc1Cl |
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| InChI Key | JJZQEOQDMGBGGF-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 acids and derivativeschlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | aryl chloridechlorobenzeneprimary carboxylic acid amidemonocyclic benzene moietycarbonyl grouporganochloridecarboxamide groupcarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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