| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:02 UTC |
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| Update Date | 2025-03-25 00:50:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178598 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15N5O3 |
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| Molecular Mass | 313.1175 |
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| SMILES | Cn1cnc2c(NC(Cc3ccc(O)cc3)C(=O)O)ncnc21 |
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| InChI Key | DRIVEFCCRQZHHR-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alkylarylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid1-hydroxy-2-unsubstituted benzenoidimidazopyrimidinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundamphetamine or derivativesazolen-substituted imidazoletyrosine or derivativesazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidpurineorganic nitrogen compoundorganooxygen compoundamine |
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