| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:04 UTC |
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| Update Date | 2025-03-21 18:35:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108083 |
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| Frequency | 24.8 |
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| Structure | |
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| Chemical Formula | C9H11ClNO6P |
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| Molecular Mass | 295.0013 |
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| SMILES | NC(Cc1ccc(OP(=O)(O)O)c(Cl)c1)C(=O)O |
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| InChI Key | UQXDRLCERDKHOB-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 | alpha amino acidsamphetamines and derivativesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenyl phosphatesphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganochlorideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaryl chloridechlorobenzenephenyl phosphatearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphosphoric acid esterhydrocarbon derivativearyl phosphomonoesterbenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenephenoxy compoundaryl phosphateorganic phosphoric acid derivativeorganooxygen compound |
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