| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:43 UTC |
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| Update Date | 2025-03-21 18:32:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090062 |
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| Frequency | 31.3 |
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| Structure | |
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| Chemical Formula | C12H16N2O3 |
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| Molecular Mass | 236.1161 |
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| SMILES | COC(=O)CNC(=O)C(N)Cc1ccccc1 |
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| InChI Key | LMMCSPQKCDZVTC-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 | peptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acyl glycinesalpha amino acid amidesalpha amino acid estersalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundsfatty amideshydrocarbon derivativesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativessecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupfatty amidealpha-amino acid or derivativesalpha peptideorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesalpha-amino acid amidealpha-amino acid estern-acyl-alpha-amino acidcarboxamide groupn-acylglycinearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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