| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:06 UTC |
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| Update Date | 2025-03-21 18:05:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060030 |
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| Frequency | 52.2 |
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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(Cl)=Cc1ccccc1 |
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| InChI Key | IWZNLKUVIIFUOG-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 | alpha-halocarboxylic acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidschloroalkeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesvinyl chlorides |
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| Substituents | alpha-halocarboxylic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidchloroalkeneorganochloridealpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundcinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundvinyl halidehaloalkenehydrocarbon derivativebenzenoidvinyl chlorideorganooxygen compound |
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