| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:32 UTC |
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| Update Date | 2025-03-25 00:53:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197844 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H22O12 |
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| Molecular Mass | 478.1111 |
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| SMILES | COc1cc2c(cc1O)C(Cc1ccc(OC3OC(C(=O)O)C(O)C(O)C3O)c(O)c1)OC2=O |
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| InChI Key | GKAVJWSRRZHCPB-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbenzofuranonesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativeslactonesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsphthalidespyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesbenzofuranoneo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidphthalidelactone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideisobenzofuranoneisocoumaranacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundhydrolyzable tanninalcoholpyran carboxylic acid or derivativesbenzofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundpyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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