| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:05 UTC |
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| Update Date | 2025-03-25 00:56:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217700 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H22O11 |
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| Molecular Mass | 426.1162 |
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| SMILES | O=C1CCC(Cc2ccc(OC3CC(O)(C(=O)O)C(C(=O)O)C(C(O)O)O3)cc2)O1 |
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| InChI Key | NKGKSROFMZXEQI-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 | acetalsalpha hydroxy acids and derivativescarbonyl compoundscarbonyl hydratescarboxylic acid esterscarboxylic acidsgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundstertiary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidcarbonyl hydratearomatic heteromonocyclic compoundalpha-hydroxy acidtricarboxylic acid or derivativeslactoneorganic oxideacetaloxaneorganoheterocyclic compoundalcoholtetrahydrofuranhydroxy acidgamma butyrolactoneoxacycletertiary alcoholorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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