| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:28 UTC |
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| Update Date | 2025-03-25 00:56:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218588 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O6 |
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| Molecular Mass | 268.0947 |
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| SMILES | Cc1ccc(OC2OC(C(=O)O)C(CO)C2O)cc1 |
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| InChI Key | DLFAZWLJNDOMFZ-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 | acetalscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundsprimary alcoholssecondary alcoholstetrahydrofuranstoluenes |
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| Substituents | alcoholphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalsecondary alcoholhydrocarbon derivativephenoxy compoundprimary alcoholtolueneorganoheterocyclic compoundorganooxygen compound |
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