| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:00 UTC |
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| Update Date | 2025-03-21 18:30:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081412 |
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| Frequency | 35.6 |
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| Structure | |
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| Chemical Formula | C14H18O8 |
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| Molecular Mass | 314.1002 |
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| SMILES | COc1cc(C(=O)O)ccc1OC1OC(C)C(O)C(O)C1O |
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| InChI Key | VZHHGEBQHREXLN-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 derivativescarboxylic acidshydrocarbon derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietyethercarboxylic acidaromatic heteromonocyclic compoundbenzoylmonosaccharidealkyl aryl ethercarboxylic acid derivativesaccharideorganic oxideacetalbenzoic acidm-methoxybenzoic acid or derivativesoxaneorganoheterocyclic compoundhydrolyzable tanninalcoholbenzoic acid or derivativesmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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