| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:03 UTC |
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| Update Date | 2025-03-25 00:50:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180909 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O8 |
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| Molecular Mass | 312.0845 |
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| SMILES | O=C(O)CCC(CC(=O)O)Oc1ccc(CC(=O)O)cc1O |
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| InChI Key | QPFAITMLEIRHKY-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl etherscarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidesphenol ethersphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidalkyl aryl etheraromatic homomonocyclic compoundorganic oxideorganic oxygen compoundphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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