| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:54 UTC |
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| Update Date | 2025-03-25 00:54:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205596 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12N2O5 |
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| Molecular Mass | 240.0746 |
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| SMILES | Nc1c(O)ccc(C(=O)O)c1CC(N)C(=O)O |
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| InChI Key | OZZFITKBGAMXRK-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsamphetamines and derivativesbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxybenzoic acid derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidamphetamine or derivativesbenzoic acid or derivativeshydroxybenzoic acidaromatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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