| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:28 UTC |
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| Update Date | 2025-03-21 18:03:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046892 |
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| Frequency | 71.2 |
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| Structure | |
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| Chemical Formula | C17H22O8 |
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| Molecular Mass | 354.1315 |
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| SMILES | CC1OC(Oc2cc(CC3CCC(=O)O3)ccc2O)C(O)C(O)C1O |
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| InChI Key | RKUSZIHWPLROEX-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 benzenoidsacetalscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativelactonesaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholtetrahydrofurangamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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