Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:52:42 UTC |
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Update Date | 2025-03-21 18:03:33 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00045050 |
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Frequency | 91.9 |
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Structure | |
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Chemical Formula | C23H25N7O5 |
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Molecular Mass | 479.1917 |
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SMILES | Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)NC(Cc3ccc(O)cc3)C(=O)O)cc1)N2 |
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InChI Key | OWIPKVWUAOBNBN-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 compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylalkylaminesphenylpropanoic acidsprimary aminespterins and derivativespyrimidonessecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidpyrimidonebenzamidepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesvinylogous amidepterintyrosine or derivativesazacyclen-acyl-alpha-amino acidhippuric acid or derivativesheteroaromatic compoundbenzoic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenylalkylaminephenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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