| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:22 UTC |
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| Update Date | 2025-03-21 18:03:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044220 |
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| Frequency | 117.4 |
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| Structure | |
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| Chemical Formula | C15H15N3O4 |
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| Molecular Mass | 301.1063 |
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| SMILES | O=C(C=Cc1ccc(O)cc1)NC(Cc1c[nH]cn1)C(=O)O |
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| InChI Key | JLCHYZKXYMKAEG-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxycinnamic acidsimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidhydroxycinnamic acid or derivativescinnamic acid or derivativesorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazoleazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide grouphydroxycinnamic acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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