| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:45 UTC |
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| Update Date | 2025-03-25 00:47:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159648 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N2O5 |
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| Molecular Mass | 264.0746 |
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| SMILES | O=CNc1ccccc1C(=O)CC(=O)NCC(=O)O |
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| InChI Key | IFQZVRZMNQASNI-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl-phenylketonesalpha amino acidsanilidesaryl alkyl ketonesbenzoyl derivativescarboxylic acidsfatty amideshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketonefatty amidebenzoyln-arylamideketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidecarboxamide groupn-acylglycinephenylketonearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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