| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:49 UTC |
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| Update Date | 2025-03-25 00:54:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207706 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H26O13 |
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| Molecular Mass | 474.1373 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)CC(=O)OCOC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | NSEDOOSPTYJCAC-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 glycosidesbenzene and substituted derivativesbeta hydroxy acids and derivativesbeta-keto acids and derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersfatty alcoholsglucuronic acid derivativeshydrocarbon derivativesketonesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acyl glycoside of mono- or disaccharidemonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidbeta-keto acidketone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalfatty alcoholoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid esterorganic oxygen compoundpyranketo acidcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compoundalkyl glycoside |
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