| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:47 UTC |
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| Update Date | 2025-03-21 17:59:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00021554 |
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| Frequency | 185.4 |
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| Structure | |
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| Chemical Formula | C13H14O9 |
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| Molecular Mass | 314.0638 |
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| SMILES | COc1cc(C(=O)O)ccc1OC1OC(C(=O)O)C(O)C1O |
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| InChI Key | PIJBKOBIEJCWJO-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 | 1,2-diolsacetalsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundbenzoylmonosaccharidealkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideacetalbenzoic acidm-methoxybenzoic acid or derivativesorganoheterocyclic compound1,2-diolhydrolyzable tanninalcoholtetrahydrofuranbenzoic acid or derivativeshydroxy acidmethoxybenzeneoxacycleorganic oxygen compoundanisolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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