| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:37 UTC |
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| Update Date | 2025-03-25 01:02:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253063 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20O12 |
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| Molecular Mass | 416.0955 |
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| SMILES | O=C(Cc1ccc(O)c(O)c1)CC(OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O |
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| InChI Key | MDNZPKQFMPJMHJ-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 derivativescarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativesglucuronic acid derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsketonesmedium-chain keto acids and derivativesmonosaccharideso-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 compoundheterocyclic fatty acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalhydroxy fatty acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidgamma-keto acidoxacycleorganic oxygen compoundpyranketo acidsecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compoundalkyl glycosidemedium-chain keto acid |
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