| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:34 UTC |
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| Update Date | 2025-03-21 18:04:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054045 |
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| Frequency | 59.7 |
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| Structure | |
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| Chemical Formula | C13H20O14 |
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| Molecular Mass | 400.0853 |
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| SMILES | O=C(O)C1OC(OC2OC(CO)C(O)C(O)C2O)(C(=O)O)C(O)C(O)C1O |
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| InChI Key | IDENEVSMPMKVHS-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 | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesketalsmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acyl glycoside of mono- or disaccharidecarbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalketalaliphatic heteromonocyclic compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacycleorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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