| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:04 UTC |
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| Update Date | 2025-03-21 18:32:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090943 |
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| Frequency | 30.9 |
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| Structure | |
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| Chemical Formula | C13H16O8 |
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| Molecular Mass | 300.0845 |
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| SMILES | COc1cc(C(=O)O)ccc1OC1OCC(O)C(O)C1O |
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| InChI Key | LJUUBNPYTVLHLS-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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