| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:28 UTC |
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| Update Date | 2025-03-21 18:40:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128175 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C18H20O12 |
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| Molecular Mass | 428.0955 |
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| SMILES | O=C1CCC(Cc2cc(O)c(OC3OC(C(=O)O)C(O)C(O)C3O)c(C(=O)O)c2)O1 |
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| InChI Key | QESUIKGWRKKWDF-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-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl glycosidesbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estersgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativeshydroxybenzoic acid derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetal1-carboxy-2-haloaromatic compoundbenzoic acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofuranbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidgamma butyrolactonehydroxybenzoic acidoxacycleorganic oxygen compoundpyrancarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundalkyl glycoside |
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