| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:52 UTC |
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| Update Date | 2025-03-25 00:53:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200989 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO10 |
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| Molecular Mass | 359.0852 |
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| SMILES | COc1cc(C(=O)NO)ccc1OC1C(O)OC(C(=O)O)C(O)C1O |
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| InChI Key | PEJNFCSBKNZQNK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl aryl ethersanisolesbenzoic acids and derivativesbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativeshydroxamic acidsmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundbenzoylmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativespyrananisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhydroxamic acidphenoxy compound |
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