| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:05 UTC |
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| Update Date | 2025-03-25 00:59:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238015 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9ClO5 |
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| Molecular Mass | 256.0139 |
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| SMILES | O=C(O)CC(=Cc1ccc(O)c(Cl)c1)C(=O)O |
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| InChI Key | OPUBBUDXTYJOLP-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 acidschlorobenzenesdicarboxylic acids and derivativeshalophenolshydrocarbon 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-halophenolorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
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