| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:48 UTC |
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| Update Date | 2025-03-25 00:48:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171116 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18N2O9 |
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| Molecular Mass | 394.1012 |
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| SMILES | COc1cc(C(=O)O)ccc1OCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O |
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| InChI Key | HJEXNONAGVXSAX-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-diolsalkyl aryl ethersanisolesazacyclic compoundsbenzoic acidsbenzoyl derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsm-methoxybenzoic acids and derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compoundspyrimidine nucleosidespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietyetherlactamcarboxylic acidaromatic heteromonocyclic compoundbenzoylmonosaccharidepyrimidonealkyl aryl ethercarboxylic acid derivativepyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundpyrimidine nucleosidebenzoic acidm-methoxybenzoic acid or derivativesorganoheterocyclic compound1,2-diolhydrolyzable tanninalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundbenzoic acid or derivativesmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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