| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:01 UTC |
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| Update Date | 2025-03-21 18:32:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090833 |
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| Frequency | 31.0 |
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| Structure | |
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| Chemical Formula | C11H9NO5 |
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| Molecular Mass | 235.0481 |
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| SMILES | O=C=C(CC1=CC(=O)C(=O)C=C1)NCC(=O)O |
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| InChI Key | ODFVWQPKSZKGAA-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 acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | amino acidscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativeso-benzoquinonesorganic oxidesorganopnictogen compoundsquinonesynolates |
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| Substituents | carbonyl groupcarboxylic acidamino acidcyclic ketoneketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic amineo-benzoquinonesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundynolatealiphatic homomonocyclic compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminequinone |
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