| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:04 UTC |
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| Update Date | 2025-03-21 18:06:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062345 |
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| Frequency | 49.8 |
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| Structure | |
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| Chemical Formula | C16H22O9 |
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| Molecular Mass | 358.1264 |
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| SMILES | COc1cc(CC(=O)COC2OC(CO)C(O)C(O)C2O)ccc1O |
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| InChI Key | WUSOWTNLTGDBSQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acyl glycosides |
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| Direct Parent | fatty acyl glycosides of mono- and disaccharides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersalkyl glycosidesanisoleshydrocarbon derivativesketonesmethoxybenzenesmethoxyphenolsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl etherketonesaccharideorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholmethoxybenzeneoxacycleorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundalkyl glycoside |
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