| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:55 UTC |
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| Update Date | 2025-03-25 00:57:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224260 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22O11 |
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| Molecular Mass | 402.1162 |
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| SMILES | O=C(C(O)CO)C(Cc1ccc(O)cc1)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | PPMUDQMXZJWBIQ-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 benzenoidsacetalsacyloinsalkyl glycosidesalpha-hydroxy ketonesbenzene and substituted derivativesbeta hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidsfatty alcoholsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcohols |
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| Substituents | beta-hydroxy ketonefatty acyl glycoside of mono- or disaccharidemonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalfatty alcoholoxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranacyloinsecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compoundalkyl glycoside |
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