| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:39 UTC |
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| Update Date | 2025-03-21 18:38:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119179 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C18H19N7O4 |
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| Molecular Mass | 397.1499 |
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| SMILES | CCC(NC(=O)c1ccc(NCc2cnc3[nH]c(N)nc(=O)c3n2)cc1)C(=O)O |
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| InChI Key | VAEFPYXPGBDXAT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | hippuric acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylalkylaminesprimary aminespterins and derivativespyrazinespyrimidonessecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoylpyrimidonealpha-amino acid or derivativespteridinecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesvinylogous amidepterinazacyclen-acyl-alpha-amino acidhippuric acid or derivativesheteroaromatic compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrazinephenylalkylaminehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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