| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:39 UTC |
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| Update Date | 2025-03-25 01:00:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241586 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O3 |
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| Molecular Mass | 236.1161 |
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| SMILES | CC(CNc1ccc(CC(N)=O)cc1)C(=O)O |
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| InChI Key | PMTFUWFVZWXDBK-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 | amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylacetamidesphenylalkylaminesprimary carboxylic acid amidessecondary alkylarylamines |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidorganic oxideorganonitrogen compoundorganopnictogen compoundphenylacetamidesecondary aminecarboxamide groupbeta amino acid or derivativessecondary aliphatic/aromatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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