| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:28 UTC |
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| Update Date | 2025-03-25 00:48:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168106 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21N3O7 |
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| Molecular Mass | 343.138 |
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| SMILES | CC(N)C(=O)NC(Cc1c[nH]c2c1OC(CO)C(O)C2O)C(=O)O |
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| InChI Key | AJKUDBUAJSYSQR-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 | dipeptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alanine and derivativesalkyl aryl ethersalpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrrolessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupethercarboxylic acidalpha-amino acid or derivativesalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupalpha-dipeptideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholalanine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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