| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:22 UTC |
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| Update Date | 2025-03-25 00:56:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218375 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20N2O3 |
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| Molecular Mass | 312.1474 |
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| SMILES | Cc1cccc(C)c1NC(=O)CNc1ccc(CC(=O)O)cc1 |
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| InChI Key | PXQABGOUGYXJMX-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 acid amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsanilidescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminessecondary carboxylic acid amidesm-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidn-arylamidexyleneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-amino acid amidem-xylenesecondary aminecarboxamide groupsecondary aliphatic/aromatic aminearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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