| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:13 UTC |
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| Update Date | 2025-03-21 18:03:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043865 |
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| Frequency | 77.3 |
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| Structure | |
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| Chemical Formula | C8H13N3O2 |
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| Molecular Mass | 183.1008 |
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| SMILES | COC(=O)C(N)Cc1cncn1C |
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| InChI Key | KSVGMEHIGJQRQB-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 acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundsfatty acid estersheteroaromatic compoundshydrocarbon derivativesimidazolesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylcarbonyl grouparomatic heteromonocyclic compoundorganic oxidemethyl esterimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolealpha-amino acid esterazacycleheteroaromatic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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