| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:46 UTC |
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| Update Date | 2025-03-25 00:46:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157499 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O5 |
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| Molecular Mass | 264.0998 |
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| SMILES | O=C(O)CCc1ccc(OCC2COC(=O)C2)cc1 |
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| InChI Key | RZQGSSIFNSEXDZ-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 | alkyl aryl etherscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidtetrahydrofuranalkyl aryl ethercarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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