Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:45:49 UTC |
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Update Date | 2025-03-21 18:00:39 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00028549 |
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Frequency | 137.8 |
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Structure | |
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Chemical Formula | C15H16N6O3 |
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Molecular Mass | 328.1284 |
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SMILES | Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)O)cc3)CC1CN2 |
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InChI Key | KUVCSZHOXGXQDI-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | organoheterocyclic compounds |
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Class | pteridines and derivatives |
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Subclass | pterins and derivatives |
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Direct Parent | pterins and derivatives |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | amino acidsaniline and substituted anilinesazacyclic compoundsbenzoic acidsbenzoyl derivativescarboxylic acidsdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesimidazopyrazinesimidolactamslactamsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylimidazolidinesprimary aminespyrimidonessecondary alkylarylaminesvinylogous amides |
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Substituents | imidazolidinemonocyclic benzene moietylactamcarboxylic acidphenylimidazolidineimidazopyrazineamino acid or derivativesamino acidbenzoylpyrimidonecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundbenzoic aciddialkylarylamineimidolactamvinylogous amidepterinazacycleaniline or substituted anilinesheteroaromatic compoundbenzoic acid or derivativessecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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