| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:35 UTC |
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| Update Date | 2025-03-21 18:00:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00025702 |
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| Frequency | 149.8 |
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| Structure | |
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| Chemical Formula | C9H7ClO3 |
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| Molecular Mass | 198.0084 |
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| SMILES | O=C(O)C=Cc1ccc(O)c(Cl)c1 |
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| InChI Key | VOTXWNQLOVWHNB-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 | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochlorides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganochloride1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundorganic oxidearyl chloride2-chlorophenolchlorobenzenehydroxycinnamic acidaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
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