| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:24 UTC |
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| Update Date | 2025-03-25 00:58:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231907 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20O5 |
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| Molecular Mass | 280.1311 |
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| SMILES | CC1(C)OCC(COc2ccc(CCC(=O)O)cc2)O1 |
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| InChI Key | DDKYIMPEUGRMRY-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 heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanesalkyl aryl etherscarbonyl compoundscarboxylic acidshydrocarbon derivativesketalsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietymeta-dioxolanecarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidalkyl aryl ethercarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalketalhydrocarbon derivativebenzenoidphenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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