| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:30 UTC |
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| Update Date | 2025-03-21 17:58:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016473 |
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| Frequency | 259.3 |
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| Structure | |
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| Chemical Formula | C15H18O10 |
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| Molecular Mass | 358.09 |
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| SMILES | COC(=O)C1OC(Oc2ccc(C(=O)O)cc2OC)C(O)C(O)C1O |
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| InChI Key | PUHLAMRQXATIOC-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 acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesmethyl estersmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundbenzoylo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxidemethyl esteracetalbenzoic acidm-methoxybenzoic acid or derivativesoxaneorganoheterocyclic 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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