| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:08 UTC |
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| Update Date | 2025-03-25 00:52:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02192408 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H23N3O4 |
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| Molecular Mass | 297.1689 |
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| SMILES | CCCCCCC(O)C(O)=NC(Cc1c[nH]cn1)C(=O)O |
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| InChI Key | KBKHEKXLSMVXAT-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboximidic acidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | carboximidic acidcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolealcoholazacycleheteroaromatic compoundorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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