| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:53 UTC |
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| Update Date | 2025-03-25 01:02:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253623 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18N2O10 |
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| Molecular Mass | 422.0961 |
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| SMILES | O=C(CNC(=O)c1cc2ccccc2[nH]c1=O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | ZVFDTPUJACPZIH-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 heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesacetalsalpha amino acidsalpha-amino acyl ester of carbohydratesazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridineslactamsmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinespyran carboxylic acidspyridinecarboxylic acids and derivativespyridinonesquinoline-3-carboxamidessecondary alcoholssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativeslactamcarboxylic acido-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideacetalquinolineorganonitrogen compoundalpha-amino acidoxaneorganoheterocyclic compoundalcoholvinylogous amidealpha-amino acid esterazacycleheteroaromatic compounddihydroquinolinen-acylglycinesecondary carboxylic acid amidedihydroquinolonepyridinecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativecarbonyl groupglucuronic acid or derivativespolyhalopyridineorganic oxidearomatic heteropolycyclic compoundorganopnictogen compound2-halopyridinepyran carboxylic acid or derivativeshydroxypyridinehydroxy acidcarboxamide groupoxacycleorganic oxygen compoundpyranalpha-amino acyl ester of carbohydratesecondary alcoholbenzenoidorganic nitrogen compoundpyridinoneorganooxygen compoundquinoline-3-carboxamide |
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