| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:41 UTC |
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| Update Date | 2025-03-21 18:37:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116853 |
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| Frequency | 22.5 |
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| Structure | |
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| Chemical Formula | C12H17NO3 |
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| Molecular Mass | 223.1208 |
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| SMILES | CC(NC(CO)Cc1ccccc1)C(=O)O |
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| InChI Key | RBMIQKFWWQZDSM-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 | alanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholamphetamine or derivativesalcoholsecondary aliphatic aminesecondary aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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