| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:52 UTC |
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| Update Date | 2025-03-21 18:31:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085827 |
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| Frequency | 33.3 |
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| Structure | |
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| Chemical Formula | C15H18N2O10 |
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| Molecular Mass | 386.0961 |
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| SMILES | Nc1c(O)cccc1C(=O)NCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | FFKQEJUPUSQZTE-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalpha amino acidsalpha-amino acyl ester of carbohydratesamino acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshippuric acids and derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary aminespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidbenzoylo-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideacetalorganonitrogen compoundalpha-amino acidoxaneorganoheterocyclic compoundalcoholvinylogous amidealpha-amino acid estern-acylglycinesecondary carboxylic acid amidecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativeprimary amineaminecarbonyl groupglucuronic acid or derivativesaromatic heteromonocyclic compoundamino acid1-hydroxy-2-unsubstituted benzenoidbenzamideorganic oxideorganopnictogen compoundpyran carboxylic acid or derivativeshippuric acid or derivativesbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxamide groupoxacycleorganic oxygen compoundpyranalpha-amino acyl ester of carbohydratesecondary alcoholbenzenoidorganic nitrogen compoundorganooxygen compound |
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