| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:26 UTC |
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| Update Date | 2025-03-21 18:35:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106515 |
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| Frequency | 25.3 |
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| Structure | |
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| Chemical Formula | C18H22O11 |
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| Molecular Mass | 414.1162 |
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| SMILES | COc1cc(C(O)C2CCC(=O)O2)ccc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | XKAIIUWXKSMHBP-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 | acetalsalkyl aryl ethersalkyl glycosidesanisolesaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofurans |
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| Substituents | aromatic alcoholfatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidmethoxybenzenegamma butyrolactoneoxacycleorganic oxygen compoundpyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundalkyl glycoside |
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