| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:47 UTC |
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| Update Date | 2025-03-25 00:56:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221667 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H21NO13 |
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| Molecular Mass | 459.1013 |
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| SMILES | O=C(O)CCC(NC(=O)c1ccc(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1)C(=O)O |
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| InChI Key | QTRNLXYCJQFAPV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalpha amino acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshippuric acids and derivativeshydrocarbon derivativesmonosaccharidesn-acyl-alpha amino acidso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativespyran carboxylic acidbenzamide1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholpyran carboxylic acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativesglutamic acid or derivativeshydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyransecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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