| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:51 UTC |
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| Update Date | 2025-03-21 18:40:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131483 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C9H5NO5 |
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| Molecular Mass | 207.0168 |
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| SMILES | O=C(O)C1=CC(=O)C2=C(O)C=C(O)C2=N1 |
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| InChI Key | BCAIURDLFUQNOT-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidshydrocarbon derivativesketiminesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsvinylogous acids |
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| Substituents | ketiminecarbonyl groupcarboxylic acidazacycleimineorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundketonealiphatic heteropolycyclic compoundvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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