| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:21 UTC |
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| Update Date | 2025-03-21 18:35:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103856 |
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| Frequency | 26.1 |
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| Structure | |
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| Chemical Formula | C11H15NO3 |
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| Molecular Mass | 209.1052 |
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| SMILES | CNC(Cc1ccccc1)C(O)C(=O)O |
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| InChI Key | XMVKPHVCNHCOHN-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidalpha-hydroxy acidmonosaccharidesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundamphetamine or derivativesalcoholsecondary aliphatic aminehydroxy acidsecondary aminebeta amino acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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