| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:55 UTC |
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| Update Date | 2025-03-21 18:39:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124448 |
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| Frequency | 31.1 |
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| Structure | |
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| Chemical Formula | C11H14N2O3 |
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| Molecular Mass | 222.1004 |
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| SMILES | NC(CC(=O)NCC(=O)O)c1ccccc1 |
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| InChI Key | WTQGJJGIFSHJCV-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 | acyl glycinesalpha amino acidsbenzene and substituted derivativesbeta amino acids and derivativescarbonyl compoundscarboxylic acidsfatty amideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amidealpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide groupbeta amino acid or derivativesn-acylglycinearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhybrid peptidehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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