| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:58 UTC |
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| Update Date | 2025-03-25 00:53:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201226 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O4 |
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| Molecular Mass | 208.0736 |
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| SMILES | COc1ccc(C(C)C(=O)O)cc1C=O |
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| InChI Key | VYCDRKMREFPJGQ-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 ethersanisolesbenzaldehydesbenzoyl derivativescarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidbenzoylaldehydealkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundbenzaldehydeorganic oxidemonocarboxylic acid or derivativesaryl-aldehydeorganic oxygen compound2-phenylpropanoic-acidanisolehydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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