| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:02 UTC |
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| Update Date | 2025-03-21 18:35:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107996 |
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| Frequency | 24.9 |
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| Structure | |
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| Chemical Formula | C20H22N2O6 |
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| Molecular Mass | 386.1478 |
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| SMILES | CC(=O)C1NC(C(=O)O)=CC(=CC=NC(Cc2ccc(O)cc2)C(=O)O)C1C |
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| InChI Key | BRFSPMSFJOOPGV-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaldiminesalpha amino acidsamino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesketonesorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundstetrahydropyridines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acidimine1-hydroxy-2-unsubstituted benzenoidpropargyl-type 1,3-dipolar organic compoundketonealdimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativessecondary aliphatic aminetyrosine or derivativesazacycletetrahydropyridineorganic 1,3-dipolar compoundsecondary aminephenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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