| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:28 UTC |
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| Update Date | 2025-03-25 00:57:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223271 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO2 |
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| Molecular Mass | 201.079 |
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| SMILES | NCC(=O)Oc1ccc2ccccc2c1 |
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| InChI Key | AOFYKZRZSRTYPB-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 esters |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesnaphthalenesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupalpha-amino acid esteraromatic homopolycyclic compoundorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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