| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:43 UTC |
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| Update Date | 2025-03-21 18:01:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030667 |
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| Frequency | 169.0 |
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| Structure | |
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| Chemical Formula | C9H13N3O3 |
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| Molecular Mass | 211.0957 |
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| SMILES | COC(=O)C(Cc1c[nH]cn1)NC(C)=O |
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| InChI Key | FWHBBEZPJALIIF-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acid estersalpha amino acidsazacyclic compoundscarbonyl compoundsfatty acid estersheteroaromatic compoundshydrocarbon derivativesimidazolesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl grouparomatic heteromonocyclic compoundorganic oxidemethyl esterimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamideazolealpha-amino acid esterazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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