| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:43 UTC |
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| Update Date | 2025-03-25 01:01:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248742 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H33N7O5 |
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| Molecular Mass | 499.2543 |
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| SMILES | N=C(NCCCCCCNC(=O)NC(Cc1ccc(O)cc1)C(=O)O)NC(=N)Nc1ccc(O)cc1 |
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| InChI Key | LKOSHNGCUPYZOB-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 homomonocyclic compounds |
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| Alternative Parents | 1-arylbiguanides1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativesiminesmonocarboxylic acids and derivativesn-carbamoyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidguanidineimine1-hydroxy-2-unsubstituted benzenoidorganic oxiden-carbamoyl-alpha-amino acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compound1-arylbiguanideamphetamine or derivativescarbonic acid derivativetyrosine or derivativesn-carbamoyl-alpha-amino acidcarboximidamidearomatic homomonocyclic compoundarylbiguanidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundbiguanideorganooxygen compound |
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