| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:14 UTC |
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| Update Date | 2025-03-21 17:56:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00001985 |
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| Frequency | 3067.2 |
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| Structure | |
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| Chemical Formula | C12H20O12 |
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| Molecular Mass | 356.0955 |
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| SMILES | O=CC(O)C(O)C(OC1OC(C(=O)O)C(O)C(O)C1O)C(O)CO |
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| InChI Key | PNTVHTLNMIMGQX-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-hydroxyaldehydesbeta hydroxy acids and derivativesbeta-hydroxy aldehydescarboxylic acidsfatty alcoholsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acyl glycoside of mono- or disaccharidebeta-hydroxy aldehydecarbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxidealpha-hydroxyaldehydeacetalfatty alcoholaliphatic heteromonocyclic compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesaldehydehydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativeorganooxygen compoundalkyl glycoside |
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