| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:51 UTC |
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| Update Date | 2025-03-25 00:53:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203178 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20O7 |
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| Molecular Mass | 348.1209 |
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| SMILES | O=C(O)CC1C(Oc2ccc(CC3CCC(=O)O3)cc2)CC1C(=O)O |
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| InChI Key | GBJQABBKLSYERU-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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