| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:01 UTC |
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| Update Date | 2025-03-25 00:58:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02228806 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21N3O8 |
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| Molecular Mass | 359.1329 |
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| SMILES | CC(=O)NC(Cc1c[nH]cn1)C(=O)OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | HMJFKWCYLWITPH-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 acyl ester of carbohydrates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsacetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acid estersfatty acid estersheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesmonosaccharidesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl grouparomatic heteromonocyclic compoundmonosaccharidesaccharideorganic oxideacetalimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamideazolen-acyl-alpha amino acid or derivativesalcoholazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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