| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:55 UTC |
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| Update Date | 2025-03-25 00:59:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239924 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16O5 |
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| Molecular Mass | 276.0998 |
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| SMILES | O=C1CCC(Cc2ccc(OC3CC3C(=O)O)cc2)O1 |
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| InChI Key | WJNXHZMFWMELLE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscarbonyl compoundscarboxylic acid esterscarboxylic acidscyclopropanecarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundtetrahydrofurancyclopropanecarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundcyclopropanecarboxylic acidorganoheterocyclic compoundorganooxygen compound |
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