| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:44 UTC |
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| Update Date | 2025-03-21 18:34:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099817 |
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| Frequency | 27.5 |
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| Structure | |
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| Chemical Formula | C18H24O8 |
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| Molecular Mass | 368.1471 |
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| SMILES | CC1C(O)C(O)C(O)C(O)C1Oc1cc(CC2CCC(=O)O2)ccc1O |
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| InChI Key | DJGSHNTUZAIBKS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl etherscarbonyl compoundscarboxylic acid esterscyclitols and derivativescyclohexanolsgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideorganoheterocyclic compoundalcoholtetrahydrofurancyclohexanolcyclitol or derivativescyclic alcoholgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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