| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:26 UTC |
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| Update Date | 2025-03-25 00:46:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156785 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H30O16 |
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| Molecular Mass | 574.1534 |
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| SMILES | O=C1CCC(Cc2cc(O)c(OC3OC(C(=O)OC4CC(O)(C(=O)O)CC(O)C4O)C(O)C(O)C3O)c(O)c2)O1 |
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| InChI Key | XAZMBTIVMOCPKD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | tannins |
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| Subclass | hydrolyzable tannins |
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| Direct Parent | hydrolyzable tannins |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl glycosidesalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsfatty acyl glycosides of mono- and disaccharidesgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidsquinic acids and derivativesresorcinolstertiary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundalpha-hydroxy acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acidresorcinollactone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundhydrolyzable tanninalcoholpyran carboxylic acid or derivativestetrahydrofurancyclohexanolcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholgamma butyrolactoneoxacycletertiary alcoholorganic oxygen compoundpyrancarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundalkyl glycosidequinic acid |
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