| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:48 UTC |
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| Update Date | 2025-03-25 00:50:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182611 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O12 |
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| Molecular Mass | 352.0642 |
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| SMILES | O=CC(O)C(CC(=O)C(=O)O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | FQRPYDAFFHBJJI-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl glycosidesalpha-hydroxy ketonesalpha-hydroxyaldehydesalpha-keto acids and derivativesbeta hydroxy acids and derivativescarboxylic acidsdicarboxylic acids and derivativesfatty acylsglucuronic acid derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acyl glycoside of mono- or disaccharidecarbonyl groupcarboxylic acidglucuronic acid or derivativesheterocyclic fatty acido-glucuronidemonosaccharidealpha-hydroxy ketonecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxidealpha-hydroxyaldehydeacetalaliphatic heteromonocyclic compoundalpha-keto acidhydroxy fatty acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesaldehydehydroxy acidoxacycleorganic oxygen compoundpyranketo acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compoundalkyl glycosidemedium-chain keto acid |
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