| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:47 UTC |
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| Update Date | 2025-03-25 00:48:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171096 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H26O15 |
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| Molecular Mass | 506.1272 |
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| SMILES | COc1cc(C(=O)OC2OC(CO)C(O)C(O)C2O)ccc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | ONJBJEGWEUPCSA-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 | acetalsalkyl aryl ethersanisolesbenzoic acid estersbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundbenzoylo-glucuronidemonosaccharidebenzoate esteralkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalm-methoxybenzoic acid or derivativesoxaneprimary alcoholorganoheterocyclic compoundhydrolyzable tanninalcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acidmethoxybenzeneoxacycleorganic oxygen compoundpyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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