| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:51 UTC |
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| Update Date | 2025-03-25 00:59:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235296 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19N3O4 |
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| Molecular Mass | 269.1376 |
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| SMILES | COC(=O)C(Cc1c[nH]cn1)NC(=O)OC(C)(C)C |
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| InChI Key | RWEVEEORUORBAX-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 compoundscarbamate esterscarbonyl compoundsfatty acid estersheteroaromatic compoundshydrocarbon derivativesimidazolesmethyl estersmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylcarbonyl grouparomatic heteromonocyclic compoundorganic oxidemethyl esterimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolecarbonic acid derivativealpha-amino acid esterazacycleheteroaromatic compoundcarbamic acid esterfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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