| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:12 UTC |
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| Update Date | 2025-03-21 18:39:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127525 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C10H9ClO4 |
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| Molecular Mass | 228.0189 |
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| SMILES | COc1cc(C=CC(=O)O)cc(Cl)c1O |
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| InChI Key | JPBRRRVTXWVBIF-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 | alkyl aryl ethersanisolesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshalophenolshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidorganochloridemethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxidearyl chloride2-chlorophenolchlorobenzenemethoxybenzenehydroxycinnamic acidaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundorganooxygen compound |
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