| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:25 UTC |
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| Update Date | 2025-03-25 00:53:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199922 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H30O11 |
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| Molecular Mass | 458.1788 |
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| SMILES | COC(C(O)C(O)CO)C1OC(Oc2cccc(CC3CCC(=O)O3)c2)C(O)C(O)C1O |
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| InChI Key | NOGXIYLCCXUCKH-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 acid estersdialkyl ethersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativedialkyl etherlactonesaccharideorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholtetrahydrofurangamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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