| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:15 UTC |
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| Update Date | 2025-03-21 18:00:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024883 |
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| Frequency | 272.8 |
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| Structure | |
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| Chemical Formula | C7H11N3O2 |
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| Molecular Mass | 169.0851 |
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| SMILES | COC(=O)C(N)Cc1c[nH]cn1 |
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| InChI Key | BXRMEWOQUXOLDH-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 derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylcarbonyl grouparomatic heteromonocyclic compoundorganic oxidemethyl esterimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolealpha-amino acid esterazacycleheteroaromatic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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