| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:49 UTC |
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| Update Date | 2025-03-25 01:02:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253498 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N4O7 |
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| Molecular Mass | 314.0862 |
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| SMILES | Nc1ccn(C2OC(C(=O)C(N)C(=O)O)C(O)C2O)c(=O)n1 |
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| InChI Key | CLNJLSREFWAEGR-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1,3-dicarbonyl compoundsamino acidsazacyclic compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholstetrahydrofurans |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidmonosaccharidepyrimidonebeta-keto acidpyrimidineketonesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compound1,2-diolalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundketo acidsecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compound1,3-dicarbonyl compoundamineorganooxygen compound |
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