| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:43 UTC |
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| Update Date | 2025-03-25 00:53:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202873 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18O7 |
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| Molecular Mass | 334.1053 |
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| SMILES | O=C1CCC(Cc2ccc(OC3CC(C(=O)O)C3C(=O)O)cc2)O1 |
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| InChI Key | WDQQGOSFKFXLOX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundtetrahydrofurantricarboxylic acid or derivativesalkyl aryl ethergamma butyrolactonelactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidphenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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