| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:07 UTC |
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| Update Date | 2025-03-21 18:04:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048435 |
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| Frequency | 68.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O3 |
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| Molecular Mass | 250.1317 |
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| SMILES | COC(=O)C(Cc1ccccc1)NC(=O)CCN |
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| InChI Key | RIGPDDUCASFUTC-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 | peptidomimetics |
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| Subclass | hybrid peptides |
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| Direct Parent | hybrid peptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid estersalpha amino acidsamphetamines and derivativesbenzene and substituted derivativesbeta amino acids and derivativescarbonyl compoundsfatty acid estershydrocarbon derivativesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativessecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesalpha-amino acid estern-acyl-alpha-amino acidcarboxamide groupbeta amino acid or derivativesaromatic homomonocyclic compoundsecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundcarboxylic acid esterhybrid peptidehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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