| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:35 UTC |
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| Update Date | 2025-03-25 00:51:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184326 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12ClNO3 |
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| Molecular Mass | 229.0506 |
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| SMILES | NC(Cc1ccc(O)c(CCl)c1)C(=O)O |
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| InChI Key | DZQAAQGMAXUKSE-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-hydroxy-2-unsubstituted benzenoidsalkyl chloridesalpha amino acidsamphetamines and derivativesbenzyl chloridescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalkyl chlorideorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundbenzyl chlorideorganic oxidebenzyl halideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halideamphetamine or derivativestyrosine or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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