| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:37 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 | DMID00073230 |
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| Frequency | 40.7 |
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| Structure | |
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| Chemical Formula | C10H13NO3 |
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| Molecular Mass | 195.0895 |
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| SMILES | CC(NCC(=O)O)c1ccc(O)cc1 |
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| InChI Key | CHKKZNGYVPLKAT-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 | alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsamino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | secondary aliphatic aminemonocyclic benzene moietycarbonyl groupcarboxylic acidamino acid1-hydroxy-2-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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