| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:36 UTC |
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| Update Date | 2025-03-25 00:46:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157115 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20O13 |
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| Molecular Mass | 384.0904 |
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| SMILES | O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(=O)C(=O)O |
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| InChI Key | CQQJVBDIDSHFNF-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 | acetalsacyloinsalkyl glycosidesalpha-hydroxy ketonesalpha-hydroxyaldehydesalpha-keto acids and derivativesbeta hydroxy acids and derivativesbeta-hydroxy aldehydescarboxylic acidsfatty acylsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | fatty acyl glycoside of mono- or disaccharidebeta-hydroxy aldehydecarbonyl groupcarboxylic acidheterocyclic fatty acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidsaccharideorganic oxidealpha-hydroxyaldehydeacetalaliphatic heteromonocyclic compoundalpha-keto acidhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundalcoholaldehydehydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundketo acidacyloinsecondary alcoholhydrocarbon derivativeorganooxygen compoundalkyl glycosidemedium-chain keto acid |
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