| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:51 UTC |
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| Update Date | 2025-03-21 18:41:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136015 |
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| Frequency | 18.4 |
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| Structure | |
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| Chemical Formula | C14H17NO8 |
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| Molecular Mass | 327.0954 |
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| SMILES | NC(=O)Cc1ccc(OC2C(O)OC(C(=O)O)C(O)C2O)cc1 |
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| InChI Key | HHBPYAYWWKJZTI-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 ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylacetamidesprimary carboxylic acid amidespyran carboxylic acidssecondary alcohols |
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| Substituents | primary carboxylic acid amidephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetaloxanephenylacetamideorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativeshydroxy acidcarboxamide groupoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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