| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:49 UTC |
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| Update Date | 2025-03-25 00:46:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153031 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N4O3 |
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| Molecular Mass | 266.1379 |
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| SMILES | NC(=O)NCCNC(=O)C(N)Cc1ccc(O)cc1 |
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| InChI Key | GPTQKWBUECHWPA-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesmonoalkylaminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativessecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupfatty amide1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativescarbonic acid derivativetyrosine or derivativesalpha-amino acid amidecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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