| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:29 UTC |
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| Update Date | 2025-03-25 00:48:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168138 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H24O5 |
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| Molecular Mass | 296.1624 |
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| SMILES | CC(Cc1ccc(OCC(O)C(C)(C)CO)cc1)C(=O)O |
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| InChI Key | NJPAVJUAWJBRGL-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 etherscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compoundsphenylpropanessecondary alcohols |
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| Substituents | alcoholphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl ethercarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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