| 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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