Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:41:40 UTC |
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Update Date | 2025-03-25 00:47:06 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02159453 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C16H20O12 |
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Molecular Mass | 404.0955 |
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SMILES | O=CC(OC1OC(C(=O)O)C(O)C(O)C1O)C(O)Cc1cc(O)c(O)c(O)c1 |
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InChI Key | QKDRSAYZWHTWFH-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 derivativesbeta-hydroxy aldehydescarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidspyrogallols and derivativessecondary alcohols |
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Substituents | fatty acyl glycoside of mono- or disaccharidemonocyclic benzene moietybeta-hydroxy aldehydecarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativespyrogallol derivativebenzenetriolaldehydehydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compoundalkyl glycoside |
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