| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:26 UTC |
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| Update Date | 2025-03-21 18:31:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087092 |
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| Frequency | 32.7 |
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| Structure | |
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| Chemical Formula | C8H7NO5 |
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| Molecular Mass | 197.0324 |
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| SMILES | O=C(O)CNC(=O)c1cccoc1=O |
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| InChI Key | LMAUIKJYLOVYPF-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyranones and derivativessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundlactoneorganic oxideorganonitrogen compoundpyranonealpha-amino acidorganopnictogen compoundorganoheterocyclic compoundheteroaromatic compoundcarboxamide groupn-acylglycineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyranhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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