| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:43 UTC |
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| Update Date | 2025-03-21 18:31:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087740 |
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| Frequency | 32.4 |
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| Structure | |
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| Chemical Formula | C11H12N2O6 |
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| Molecular Mass | 268.0695 |
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| SMILES | NC(CC(=O)Nc1ccc(O)c(C(=O)O)c1)C(=O)O |
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| InChI Key | YXYICWJOTQZWKM-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 | asparagine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsacylaminobenzoic acid and derivativesalpha amino acidsanilidesbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativesfatty amideshydrocarbon derivativesmonoalkylaminesn-arylamidesorganic oxidesorganopnictogen compoundssalicylic acidssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amidebenzoyl1-hydroxy-2-unsubstituted benzenoidn-arylamidesalicylic acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivatives1-carboxy-2-haloaromatic compoundbenzoic acidacylaminobenzoic acid or derivativesbenzoic acid or derivativescarboxamide grouphydroxybenzoic acidaromatic homomonocyclic compoundanilidesecondary carboxylic acid amidevinylogous acidorganic oxygen compoundsalicylic acid or derivativesdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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