| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:23 UTC |
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| Update Date | 2025-03-25 00:45:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152031 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H19NO11 |
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| Molecular Mass | 413.0958 |
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| SMILES | NC(CC(=O)c1ccc(OC2OC(C(=O)O)C(C(=O)O)C(O)C2O)cc1)C(=O)O |
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| InChI Key | RDCQHBHUTVIYEJ-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-diolsacetalsalkyl-phenylketonesalpha amino acidsaryl alkyl ketonesbenzoyl derivativesbeta hydroxy acids and derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketoneglucuronic acid or derivativesaromatic heteromonocyclic compoundbenzoylmonosaccharidetricarboxylic acid or derivativesalpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acidketonebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativeshydroxy acidphenylketonegamma-keto acidbutyrophenoneoxacyclepyranketo acidsecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundalkyl-phenylketonearyl ketone |
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