| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:25 UTC |
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| Update Date | 2025-03-21 18:38:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120944 |
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| Frequency | 21.5 |
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| Structure | |
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| Chemical Formula | C18H22O15 |
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| Molecular Mass | 478.0959 |
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| SMILES | O=C(O)C1OC(Oc2cc(O)c(C3OC(C(=O)O)C(O)C(O)C3O)c(O)c2)C(O)C(O)C1O |
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| InChI Key | XQJFFDLERVGCCQ-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl glycosidesbeta hydroxy acids and derivativesc-glucuronidescarbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidsresorcinolssecondary alcohols |
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| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl etherresorcinol1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundc-glucuronidealcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundalkyl glycoside |
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