| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:18 UTC |
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| Update Date | 2025-03-21 18:36:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108636 |
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| Frequency | 24.7 |
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| Structure | |
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| Chemical Formula | C21H28N8O5 |
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| Molecular Mass | 472.2183 |
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| SMILES | CC(=O)NCCCC(NC(=O)c1ccc(NCC2CNc3[nH]c(N)nc(=O)c3N2)cc1)C(=O)O |
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| InChI Key | RVEVJYAKSMGNTN-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 | acetamidesalpha amino acidsamino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylalkylaminesprimary aminespterins and derivativespyrimidonessecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoylpyrimidonealpha-amino acid or derivativescarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamiden-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 compoundphenylalkylaminehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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