| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:52 UTC |
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| Update Date | 2025-03-25 00:59:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237533 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H30O15 |
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| Molecular Mass | 558.1585 |
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| SMILES | O=C1CCC(Cc2cc(O)cc(OC3OC(C(=O)OC4C(O)CC(O)(C(=O)O)CC4O)C(O)C(O)C3O)c2)O1 |
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| InChI Key | ARTRUTWWQKUWKV-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 benzenoidsacetalsalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidsquinic acids and derivativestertiary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundalpha-hydroxy acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acidlactone1-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 compoundquinic acid |
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