| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:06 UTC |
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| Update Date | 2025-03-21 18:02:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041149 |
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| Frequency | 83.7 |
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| Structure | |
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| Chemical Formula | C12H16O5 |
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| Molecular Mass | 240.0998 |
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| SMILES | COc1cc(CCC(=O)O)ccc1OCCO |
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| InChI Key | DGWOCDKKSCFYAD-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 | alcohols and polyolsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | alcoholphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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