| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:22 UTC |
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| Update Date | 2025-03-21 18:33:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096513 |
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| Frequency | 28.6 |
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| Structure | |
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| Chemical Formula | C11H14O4 |
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| Molecular Mass | 210.0892 |
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| SMILES | COc1ccc(CC(C)(O)C(=O)O)cc1 |
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| InChI Key | IYCIDACHHHGXPV-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 derivativesanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylpropanestertiary alcohols |
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| Substituents | alcoholphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidhydroxy acidalkyl aryl ethercarboxylic acid derivativemethoxybenzenephenylpropanearomatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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