| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:38 UTC |
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| Update Date | 2025-03-21 18:28:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073266 |
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| Frequency | 40.7 |
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| Structure | |
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| Chemical Formula | C13H20NO6P |
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| Molecular Mass | 317.1028 |
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| SMILES | CCOP(=O)(OCC)Oc1ccc(CC(N)C(=O)O)cc1 |
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| InChI Key | NWIDIUPBLUJXLM-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 dialkyl phosphatescarbonyl compoundscarboxylic acidsdialkyl phosphateshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganic oxidearyl dialkyl phosphateorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaromatic homomonocyclic compounddialkyl phosphatemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphosphoric acid esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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