| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:19 UTC |
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| Update Date | 2025-03-25 00:49:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176953 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11ClO4 |
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| Molecular Mass | 230.0346 |
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| SMILES | COc1ccc(Cl)cc1CC(O)C(=O)O |
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| InChI Key | NUEWPAKLAXVFGI-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 | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha hydroxy acids and derivativesanisolesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganochloridealpha-hydroxy acidalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxidearyl chloridechlorobenzenealcoholhydroxy acidmethoxybenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundorganooxygen compound |
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