| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:04 UTC |
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| Update Date | 2025-03-25 00:47:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160327 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N2O7 |
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| Molecular Mass | 296.0645 |
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| SMILES | Nc1c(O)cccc1C(=O)CC(=NC(O)C(=O)O)C(=O)O |
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| InChI Key | NKAUOZHJBVVGKQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkanolaminesalpha amino acidsalpha hydroxy acids and derivativesamino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundssecondary ketiminesvinylogous amides |
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| Substituents | ketiminemonocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidiminealpha-hydroxy acidbenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkanolaminevinylogous amideorganic 1,3-dipolar compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundketo aciddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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