| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:10 UTC |
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| Update Date | 2025-03-21 17:59:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022413 |
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| Frequency | 177.0 |
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| Structure | |
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| Chemical Formula | C16H17NO11 |
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| Molecular Mass | 399.0802 |
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| SMILES | O=C(CNC(=O)c1ccccc1C(=O)O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | AHSOJQNFQALNPF-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsacetalsalpha amino acidsalpha-amino acyl ester of carbohydratesbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estersglucuronic acid derivativeshippuric acids and derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundbenzoylo-glucuronidemonosaccharidetricarboxylic acid or derivativespyran carboxylic acidbenzamide1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesalpha-amino acid esterhippuric acid or derivativesbenzoic acid or derivativeshydroxy acidcarboxamide groupn-acylglycineoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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